UCSF

ZINC34542388

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 No

Popular Name: [(7R,8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-7-propyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-c [(7R,8R,9S,10R,13S,14S,17S)-13-m…

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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) 5.24 12.72 -11.35 0 3 0 43 358.522 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0869132A1; US6077873 IBM Patent Data

Activity (Go SEA)

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