D06300

LigandBoxID:D06300

NAME:Vidarabine sodium phosphate
SMILES: OP(OCC1OC(n3cnc2c(ncnc32)N)C(C1O)O)(=O)O

2D	3D
	select 3D conformers:
SDF file D06300 [show] [download] [KEGG DRUG]	MOL2 file D06300-01 : [show] [download] D06300-01o : [show] [download] D06300-02 : [show] [download] D06300-03 : [show] [download] D06300-04 : [show] [download] D06300-05 : [show] [download]

Suppliers' compound IDs

KEGG_DRUG

Calculated physical properties

MOLECULAR_FORMULA	MOLECULAR_WEIGHT	MOLECULAR_CHARGE	NUM_OF_DONOR
C10H12N5O7P	345.208	-2	4
NUM_OF_ACCEPTOR	NUM_OF_CHIRAL_ATOMS	LUMO	HOMO
10	4	3.3770	0.2730
LOGS	AGGREGATOR_PROBABILITY	CARCINOGENICITY_FN	CARCINOGENICITY_FN_AD
0.200432606E+02	0.427153157E-15	-	1.2759

Links to the same SMILES compounds

LIGANDBOX	C00020	C18344	D02769	D06299
CHEMBL	CHEMBL1230732	CHEMBL1315633	CHEMBL1318643	CHEMBL1326885	CHEMBL1627080
CHEMBL16720	CHEMBL1989652	CHEMBL603764	CHEMBL603811	CHEMBL608290	CHEMBL610127
CHEMBL612149	CHEMBL752
ZINC	ZINC01571045	ZINC01571045	ZINC01842158	ZINC02126310	ZINC02126310
ZINC03201889	ZINC03201891	ZINC03201891	ZINC03201893	ZINC03201893	ZINC03581324
ZINC03830180	ZINC03830180	ZINC03860156	ZINC03860156	ZINC03977897	ZINC03977897
ZINC04806442	ZINC08613167	ZINC13518964
PUBCHEM	10915407	11072014	11205588	12163610	12358354
12358355	13363962	14370207	1549370	1549371	15938965
16218864	16218995	162816	16395047	16396156	16397049
16760266	168215	168491	174386	1780944	18647118
20712	21145061	22134076	224	22827614	23443702
23558676	23615238	23618328	23674329	23674992	23675930
23681178	23704776	24200111	24332	24820573	25074416
274743	3010320	3082340	32741	3450688	34768
3482394	37888170	40459107	40459108	40459109	40459110
40467048	40467049	40469467	40469468	40493553	40776052
42609785	434832	4369011	43834992	43834995	44119951
44348067	445708	446048	45358029	45358030	46874558
46875232	46876102	49797673	51223	51396505	515384
5316444	53393514	53461514	53461750	53462860	53486425
54598198	54599567	54612117	54708587	57357944	57358045
57358262	57461573	57469219	57469825	57879892	57879893
57879901	57879902	57994455	58165917	59112131	60046036
6083	638042	6419976	644264	65361	6604530
83862	9917799

PDB compound with the same structure: AP7(PDBeChem Chem.Comp) AMP(PDBeChem Chem.Comp) A(PDBeChem Chem.Comp)

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