UCSF

ZINC06812994

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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 7.8 -66.03 0 6 -1 86 384.415 5 ↓
Mid Mid (pH 6-8) 1.17 8.29 -13.7 0 6 0 80 385.423 5 ↓
Mid Mid (pH 6-8) 2.20 8.32 -16.89 1 6 0 83 385.423 4 ↓
Lo Low (pH 4.5-6) 1.17 8.57 -39.21 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 1.17 8.59 -48.98 1 6 1 81 386.431 5 ↓
Lo Low (pH 4.5-6) 1.17 8.87 -108.49 2 6 2 83 387.439 5 ↓
Lo Low (pH 4.5-6) 2.20 8.6 -37.35 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.20 8.62 -50.48 2 6 1 85 386.431 4 ↓
Lo Low (pH 4.5-6) 2.20 8.9 -103.82 3 6 2 86 387.439 4 ↓

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