UCSF

ZINC41244931

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 16 Yes

Popular Name: 1H-azepine, 1,1'-(1,2-ethanediyl)bis[hexahydro- 1H-azepine, 1,1'-(1,2-ethanediyl…

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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) 3.20 7.78 -31.39 1 2 1 8 225.4 3 ↓
Mid Mid (pH 6-8) 3.20 9.63 -109.47 2 2 2 9 226.408 3 ↓

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Rings

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