UCSF

ZINC06813073

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 No

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

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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) 1.75 7.91 -65.29 0 6 -1 86 384.415 5 ↓
Mid Mid (pH 6-8) 1.17 8.89 -14.47 0 6 0 80 385.423 5 ↓
Mid Mid (pH 6-8) 2.20 8.91 -17.8 1 6 0 83 385.423 4 ↓
Lo Low (pH 4.5-6) 1.17 9.17 -43.06 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 1.17 9.18 -52.52 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 1.17 9.46 -96.84 2 6 2 83 387.439 5 ↓
Lo Low (pH 4.5-6) 2.20 9.19 -45.34 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.20 9.2 -52.08 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.20 9.48 -94.34 3 6 2 86 387.439 4 ↓

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