UCSF

ZINC49000011

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 29 No

Popular Name: (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3',3',6,9a,11a-pentamethylspiro[2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahy (1R,3aS,3bR,5aR,9aR,9bS,11aS)-3'…

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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) 5.08 11.61 -14.17 0 4 0 47 401.591 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHB7-1-E 3-keto-steroid Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 116 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHB7_HUMAN P56937 3-keto-steroid Reductase, Human 116 0.33 Binding ≤ 1μM
DHB7_HUMAN P56937 3-keto-steroid Reductase, Human 116 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cholesterol biosynthesis

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