UCSF

ZINC33828964

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 23 No

Popular Name: 1H-1,4-Benzodiazepine-3-carbonitrile, 2,3-dihydro-7-nitro-2-oxo-5-phenyl-; 2,3-Dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carbonitrile; 3-Cyano-1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one; BRN 0700821; LS-34003 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) 1.55 5.41 -10.58 1 7 0 111 306.281 2 ↓
Hi High (pH 8-9.5) 1.73 3.46 -35.99 0 7 -1 117 305.273 2 ↓

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