UCSF

ZINC16951813

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 27 No

Popular Name: 4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One 4-(3,14-Dihydroxy-10,13-Dimethyl…

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Download: MOL2 SDF SMILES Flexibase

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) 2.47 6.08 -10.2 2 4 0 67 374.521 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.44e-02 g/l DrugBank-experimental

Activity (Go SEA)

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