UCSF

ZINC05515947

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 21 Yes

Popular Name: 2H-1,5-Benzodioxepin-7-methanamine, 3,4-dihydro-alpha-(2-phenylethyl)-, hydrochloride; 3,4-Dihydro-alpha-(2-phenylethyl)-2H-1,5-benzodioxepin-7-methanamine hydrochloride; 7-(1-Amino-3-phenylpropyl)-1,5-benzodioxepane hydrochloride; LS-34518 2H-1,5-Benzodioxepin-7-methanami…

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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) 1.53 -1.56 -57.65 3 3 1 46 284.379 4 ↓

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