UCSF

ZINC06446128

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 28 No

Popular Name: 4-[(4-bromophenyl)-hydroxy-methylene]-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-pyrrolidine-2,3-dione 4-[(4-bromophenyl)-hydroxy-methy…

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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) 2.47 6.25 -57.7 1 8 -1 126 446.233 6 ↓
Mid Mid (pH 6-8) 2.47 -2.98 -16.32 2 8 0 123 447.241 6 ↓
Mid Mid (pH 6-8) 1.88 -2.87 -14.72 1 8 0 120 447.241 6 ↓

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