LigandBoxID:PDB_TAU

NAME:TAU;2-AMINOETHANESULFONIC ACID
SMILES: NCCS(=O)(=O)O

2D 3D

SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
TAU(PDBeCHEM) TAU(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C2H7NO3S 125.147 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -1.2204 -10.1655
LOGS LOGP    
1.5035 -1.6742    

Links to the same SMILES compounds

LIGANDBOX C00245 D00047 HTS1610-00156765 HTS1610-02683177 KSH2016-00063058
CHEMBL CHEMBL239243
ZINC ZINC03809490
PUBCHEM 110342 1123 12359084 13343447 18183618
19070298 19956813 20082634 20208147 20390534 21121763
21407778 21407780 21446357 21715687 21947016 21952890
22174439 22244101 22395471 22708518 23192578 23322934
23332134 23458094 23666486 23678999 23680099 23698856
25167303 4068592 42611029 42611030 44159196 44554695
49822673 49849887 49849888 53471337 54479513 5460761
56943416 58052718 59248338 9837321 9898865 9926851
9947880


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