UCSF

ZINC09008851

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 No

Popular Name: 4-[hydroxy-(4-propoxyphenyl)-methylene]-5-(3-nitrophenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[hydroxy-(4-propoxyphenyl)-met…

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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) 3.41 11.45 -52.5 0 9 -1 128 472.477 9 ↓
Mid Mid (pH 6-8) 2.83 10.9 -16.07 0 9 0 122 473.485 9 ↓
Mid Mid (pH 6-8) 3.86 10.9 -15.88 1 9 0 126 473.485 8 ↓
Lo Low (pH 4.5-6) 2.83 11.18 -54.91 1 9 1 124 474.493 9 ↓
Lo Low (pH 4.5-6) 3.86 11.18 -47.83 2 9 1 127 474.493 8 ↓

Activity (Go SEA)

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