UCSF

ZINC04096200

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 21 No

Popular Name: 5beta-androstane-3,17-dione 5beta-androstane-3,17-dione

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CAS Number: 1229-12-5

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) 3.24 2.17 -8.93 0 2 0 34 288.431 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.39e-03 g/l DrugBank-experimental
UniProt Database Links AK1C1_HUMAN; AK1C2_HUMAN ChEBI

Activity (Go SEA)

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