UCSF

ZINC34360901

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 20 Yes

Popular Name: (3S,8R,9S,13S,14S)-3-hydroxy-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phen (3S,8R,9S,13S,14S)-3-hydroxy-13-…

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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) 2.84 6.9 -6.32 1 2 0 37 274.404 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0980383A1; WO1998050413A1 IBM Patent Data

Activity (Go SEA)

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