UCSF

ZINC33828969

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 21 Yes

Popular Name: 1H-1,4-Benzodiazepine-3-carbonitrile, 2,3-dihydro-7-chloro-2-oxo-5-phenyl-; 2,3-Dihydro-7-chloro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carbonitrile; 7-Chloro-3-cyano-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one; BRN 0680092; LS-34001 1H-1,4-Benzodiazepine-3-carbonit…

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Annotations

Vendors

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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) 2.27 5.24 -7.81 1 4 0 65 295.729 1 ↓
Hi High (pH 8-9.5) 2.45 3.27 -40.5 0 4 -1 72 294.721 1 ↓

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