UCSF

ZINC57997398

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 23 No

Popular Name: 3-[2-(azepan-1-yl)ethylamino]-4-(4-chlorophenyl)cyclobut-3-ene-1,2-dione 3-[2-(azepan-1-yl)ethylamino]-4-…

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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) 2.64 8.52 -37.32 1 4 0 51 333.839 4 ↓
Hi High (pH 8-9.5) 2.64 6.43 -6.25 0 4 0 50 332.831 4 ↓
Hi High (pH 8-9.5) 2.64 6.41 -7.39 0 4 0 50 332.831 4 ↓
Mid Mid (pH 6-8) 2.64 8.5 -49.78 1 4 0 51 333.839 4 ↓

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