UCSF

ZINC40768216

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 Yes

Popular Name: (2R,3aS,7aS)-N-[2-(azepan-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2R,3aS,7aS)-N-[2-(azepan-1-yl)e…

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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) 3.43 6.94 -89.83 4 4 2 50 295.471 4 ↓
Mid Mid (pH 6-8) 3.62 4.61 -37.88 3 4 1 56 294.463 4 ↓

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