UCSF

ZINC34552896

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 Yes

Popular Name: (3aR,9bS)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one (3aR,9bS)-1,2,3,3a,5,9b-hexahydr…

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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) 2.18 5.35 -6.6 1 2 0 29 187.242 0 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999041240A1; WO2000029381A1 IBM Patent Data

Activity (Go SEA)

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