UCSF

ZINC04334012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 29 No

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

Find On: PubMed — Wikipedia — Google

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) 1.41 7.15 -54.4 0 6 -1 86 388.378 5 ↓
Mid Mid (pH 6-8) 1.86 7.23 -20.12 1 6 0 83 389.386 4 ↓
Lo Low (pH 4.5-6) 1.41 7.42 -40 2 6 1 85 390.394 5 ↓
Lo Low (pH 4.5-6) 0.83 7.79 -42.75 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 1.41 7.41 -38.37 2 6 1 85 390.394 5 ↓
Lo Low (pH 4.5-6) 0.83 7.78 -45.37 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 1.41 7.71 -107.52 3 6 2 86 391.402 5 ↓
Lo Low (pH 4.5-6) 0.83 8.08 -117.42 2 6 2 83 391.402 5 ↓

Activity (Go SEA)

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