UCSF

ZINC09350101

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(3-nitrophenyl)-pyrrolidine-2,3-dion 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 3.09 9.25 -57.31 0 9 -1 125 439.444 9 ↓
Mid Mid (pH 6-8) 3.54 9.35 -15.4 1 9 0 122 440.452 8 ↓
Mid Mid (pH 6-8) 2.51 0.57 -17.42 0 9 0 118 440.452 9 ↓

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