LigandBoxID:PDB_A2G

NAME:A2G;N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE
SMILES: OCC1OC(C(C(C1O)O)NC(=O)C)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
A2G(PDBeCHEM) A2G(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C8H15NO6 221.209 0 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 5 1.6005 -9.9224
LOGS LOGP    
1.3401 -2.0510    

Links to the same SMILES compounds

LIGANDBOX C00140 C00645 C01132 C02711 C03136
C03878 C05021 C20328 HTS1610-00122307 HTS1610-00122308 HTS1610-00125583
HTS1610-00125584 HTS1610-00147648 HTS1610-00147649 HTS1610-00170649 HTS1610-00170650 HTS1610-00335230
HTS1610-00335231 KSH2016-00021477 KSH2016-01550366 PDB_BM3 PDB_HSQ PDB_HSR
PDB_LXB PDB_LXZ PDB_NAA PDB_NAG PDB_NDG PDB_NGA
PDB_NGZ
CHEMBL CHEMBL1210905 CHEMBL1231391 CHEMBL1414815 CHEMBL240524 CHEMBL39064
CHEMBL447878 CHEMBL469447
ZINC ZINC00895063 ZINC00895066 ZINC00895331 ZINC00895332 ZINC00895508
ZINC00895509 ZINC00901459 ZINC00968143 ZINC01042045 ZINC02042979 ZINC02562219
ZINC03860151 ZINC03861733 ZINC03870075 ZINC03870076 ZINC03870077 ZINC03881902
ZINC03983907 ZINC04096029 ZINC04096030 ZINC04228290 ZINC04293686 ZINC04301186
ZINC05227360 ZINC05883957 ZINC05883978 ZINC08551466 ZINC16124914 ZINC16124917
PUBCHEM 10944029 11096158 11172336 11592221 11861101
11861102 11861121 11869379 11869380 11869611 11888370
11888574 11908605 1201535 13201632 13201636 16211955
16394588 16741263 16757753 18334292 18397676 21039542
22843522 23853864 24139 24801873 24801874 26967478
2735252 3084028 35717 439174 439281 439916
440552 445246 448896 451191 46780034 49852884
51382682 5288740 56845730 56968553 56968774 57376616
57455154 57530396 58097808 58502627 58545362 58640882
58713836 58718646 58769236 58948057 59503899 644170
6857375 6971011 6971059 6971060 6971258 6973644
7059431 7059432 7177184 7568776 82313 84265
899


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