UCSF

ZINC02041756

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 14 Yes

Popular Name: (6S)-7-keto-5,6,8,9-tetrahydrobenzocycloheptene-6-carbonitrile (6S)-7-keto-5,6,8,9-tetrahydrobe…

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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) 1.95 2.59 -9.19 0 2 0 40 185.226 0 ↓

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