UCSF

ZINC36330863

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 33 No

Popular Name: (3S,5R,8R,9S,10R,12R,13S,14R,17S)-17-[(1R)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethy (3S,5R,8R,9S,10R,12R,13S,14R,17S…

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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) 7.10 9.7 -3.69 3 3 0 61 460.743 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SOAT1-2-E Acyl Coenzyme A:cholesterol Acyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SOAT1_RAT O70536 Acyl Coenzyme A:cholesterol Acyltransferase 1, Rat 10000 0.21 Binding ≤ 10μM

Rings

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