UCSF

ZINC19910086

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 Yes

Popular Name: 2-(4-phenacyl-1,4-diazepan-1-yl)-1-phenyl-ethanone 2-(4-phenacyl-1,4-diazepan-1-yl)…

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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) 2.80 10.26 -48.66 1 4 1 42 337.443 6 ↓
Hi High (pH 8-9.5) 2.80 8.07 -13.89 0 4 0 41 336.435 6 ↓
Lo Low (pH 4.5-6) 2.80 12.31 -127.28 2 4 2 43 338.451 6 ↓

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