UCSF

ZINC38156579

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 30 Yes

Popular Name: (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-7a-methyl-1-[(1R)-1,5,5-trimethylhexyl]-2,3,3a,5,6,7-hexahydro-1H (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7a…

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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) 7.08 10.51 -3.81 2 2 0 40 414.674 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VDR-1-E Vitamin D Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 11 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
VDR_RAT P13053 Vitamin D Receptor, Rat 11 0.37 Binding ≤ 1μM
VDR_RAT P13053 Vitamin D Receptor, Rat 11 0.37 Binding ≤ 10μM

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