UCSF

ZINC37079677

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (1S)-1-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-cyclopropyl-N-ethyl-ethane-1,2-diamine (1S)-1-(6-bromo-3,4-dihydro-2H-1…

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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) 2.18 6.69 -132.76 4 4 2 51 357.292 5 ↓
Mid Mid (pH 6-8) 2.18 4.82 -51.85 3 4 1 49 356.284 5 ↓
Mid Mid (pH 6-8) 2.18 6.32 -33.78 3 4 1 49 356.284 5 ↓

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