UCSF

ZINC08817142

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 No

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

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Download: MOL2 SDF SMILES Flexibase

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) 3.25 8.8 -54.48 0 6 -1 83 433.871 6 ↓
Mid Mid (pH 6-8) 2.67 -0.19 -12.06 0 6 0 76 434.879 6 ↓
Lo Low (pH 4.5-6) 3.70 0.06 -47.54 2 6 1 80 435.887 5 ↓
Lo Low (pH 4.5-6) 2.67 -0.08 -44.59 1 6 1 77 435.887 6 ↓
Lo Low (pH 4.5-6) 3.25 7.97 -14.23 1 6 0 80 434.879 6 ↓

Activity (Go SEA)

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