UCSF

ZINC05593674

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 29 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-5-(3-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-fluorophenyl)-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) 1.47 7.2 -61.45 0 6 -1 86 388.378 5 ↓
Mid Mid (pH 6-8) 0.88 7.74 -14.94 0 6 0 80 389.386 5 ↓
Mid Mid (pH 6-8) 1.47 7.42 -12.95 1 6 0 83 389.386 5 ↓
Lo Low (pH 4.5-6) 1.91 7.14 -43.84 2 6 1 85 390.394 4 ↓
Lo Low (pH 4.5-6) 0.88 8.02 -40.09 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 1.91 7.18 -62.91 2 6 1 85 390.394 4 ↓
Lo Low (pH 4.5-6) 0.88 8.06 -50.33 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 1.91 7.46 -116.95 3 6 2 86 391.402 4 ↓
Lo Low (pH 4.5-6) 0.88 8.34 -108.77 2 6 2 83 391.402 5 ↓

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