UCSF

ZINC31577292

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 Yes

Popular Name: 2-[4-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-[2-(3,4-dimethylanilino)-2-…

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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) 2.60 8.33 -45.97 2 6 1 57 375.537 7 ↓
Hi High (pH 8-9.5) 2.60 8.73 -46.95 2 6 1 57 375.537 7 ↓
Hi High (pH 8-9.5) 2.60 6.48 -15.96 1 6 0 56 374.529 7 ↓
Lo Low (pH 4.5-6) 2.60 10.57 -122.63 3 6 2 58 376.545 7 ↓

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