UCSF

ZINC09271462

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 No

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

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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) 3.18 11.24 -52.75 0 9 -1 128 470.461 9 ↓
Mid Mid (pH 6-8) 3.62 10.69 -16.28 1 9 0 126 471.469 8 ↓
Mid Mid (pH 6-8) 2.59 0.62 -16.42 0 9 0 122 471.469 9 ↓
Lo Low (pH 4.5-6) 2.59 0.73 -55.23 1 9 1 123 472.477 9 ↓
Lo Low (pH 4.5-6) 3.62 10.96 -48.21 2 9 1 127 472.477 8 ↓

Activity (Go SEA)

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