UCSF

ZINC08740798

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 No

Popular Name: 5-(2,3-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(2,3-dimethoxyphenyl)-4-(hydro…

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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) 2.36 8.57 -65.49 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.81 8.11 -20.22 1 7 0 89 430.46 6 ↓
Mid Mid (pH 6-8) 1.78 9.13 -15.78 0 7 0 86 430.46 7 ↓
Lo Low (pH 4.5-6) 2.81 8.4 -44.44 2 7 1 90 431.468 6 ↓
Lo Low (pH 4.5-6) 1.78 9.42 -45.84 1 7 1 87 431.468 7 ↓

Activity (Go SEA)

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