UCSF

ZINC06445157

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 30 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-hydroxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-chlorophenyl)-hydroxy-meth…

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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) 2.74 7.37 -60.78 1 6 -1 94 419.844 5 ↓
Mid Mid (pH 6-8) 2.15 7 -12.34 1 6 0 88 420.852 5 ↓
Mid Mid (pH 6-8) 3.19 6.71 -20.1 2 6 0 91 420.852 4 ↓
Lo Low (pH 4.5-6) 2.15 7.31 -45.59 2 6 1 89 421.86 5 ↓
Lo Low (pH 4.5-6) 3.19 7.02 -49.77 3 6 1 92 421.86 4 ↓

Activity (Go SEA)

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