UCSF

ZINC04995490

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 24 No

Popular Name: 2-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta 2-hydroxy-1-(3-hydroxy-10,13-dim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 -2.38 -9.43 2 3 0 57 334.5 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-2-O GABA-A Receptor; Anion Channel (cluster #2 Of 8), Other Other 90 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 90 0.41 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 3050 0.32 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )