UCSF

ZINC06565569

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 29 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-fluorophenyl)-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) 1.41 7.13 -57.28 0 6 -1 86 388.378 5 ↓
Mid Mid (pH 6-8) 0.83 8 -24.32 0 6 0 80 389.386 5 ↓
Mid Mid (pH 6-8) 1.86 6.64 -18.5 1 6 0 83 389.386 4 ↓
Lo Low (pH 4.5-6) 0.83 8.29 -54.65 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 0.83 8.29 -59.98 1 6 1 81 390.394 5 ↓
Lo Low (pH 4.5-6) 0.83 8.58 -130.17 2 6 2 83 391.402 5 ↓
Lo Low (pH 4.5-6) 1.41 7.59 -42.62 2 6 1 85 390.394 5 ↓
Lo Low (pH 4.5-6) 1.86 6.93 -53.34 2 6 1 85 390.394 4 ↓
Lo Low (pH 4.5-6) 1.41 7.88 -113.3 3 6 2 86 391.402 5 ↓

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