UCSF

ZINC08738339

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 No

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

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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) 2.10 8.86 -63.33 0 7 -1 95 428.468 7 ↓
Mid Mid (pH 6-8) 1.52 -0.6 -15.86 0 7 0 89 429.476 7 ↓
Lo Low (pH 4.5-6) 2.55 -0.14 -49.72 2 7 1 93 430.484 6 ↓
Lo Low (pH 4.5-6) 1.52 -0.49 -46.49 1 7 1 90 430.484 7 ↓
Lo Low (pH 4.5-6) 2.55 -0.14 -63.84 2 7 1 93 430.484 6 ↓
Lo Low (pH 4.5-6) 1.52 -0.49 -52.15 1 7 1 90 430.484 7 ↓
Lo Low (pH 4.5-6) 2.55 -0.03 -105.8 3 7 2 95 431.492 6 ↓
Lo Low (pH 4.5-6) 1.52 -0.38 -97.88 2 7 2 91 431.492 7 ↓
Lo Low (pH 4.5-6) 2.10 8.04 -18.8 1 7 0 93 429.476 7 ↓

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