UCSF

ZINC31559955

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 17 Yes

Popular Name: 1H-3-Benzazepine, 2,3,4,5-tetrahydro-3-(3-(dimethylamino)propyl)-, dihydrochloride; 2,3,4,5-Tetrahydro-3-(3-(dimethylamino)propyl)-1H-3-benzazepine dihydrochloride; 3-(3-Dimethylaminopropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine dihydrochloride; LS-28007 1H-3-Benzazepine, 2,3,4,5-tetrah…

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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) 2.44 8.26 -35.84 1 2 1 8 233.379 4 ↓
Mid Mid (pH 6-8) 2.44 10.17 -104.2 2 2 2 9 234.387 4 ↓
Mid Mid (pH 6-8) 2.44 7.7 -37.71 1 2 1 8 233.379 4 ↓

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