UCSF

ZINC03833953

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 No

Popular Name: 5beta-pregnane-3,20-dione 5beta-pregnane-3,20-dione

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CAS Number: 128-23-4

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) 3.99 2.62 -7.69 0 2 0 34 316.485 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.29e-03 g/l DrugBank-experimental

Activity (Go SEA)

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