UCSF

ZINC09350516

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

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

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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) 2.24 9.04 -63.26 0 7 -1 95 428.468 8 ↓
Mid Mid (pH 6-8) 2.69 8.16 -16.28 1 7 0 93 429.476 7 ↓
Mid Mid (pH 6-8) 1.66 -1.04 -15.37 0 7 0 89 429.476 8 ↓
Lo Low (pH 4.5-6) 2.69 8.75 -109.83 3 7 2 95 431.492 7 ↓
Lo Low (pH 4.5-6) 2.69 8.44 -37.48 2 7 1 94 430.484 7 ↓
Lo Low (pH 4.5-6) 2.69 8.47 -53.81 2 7 1 94 430.484 7 ↓
Lo Low (pH 4.5-6) 1.66 -0.93 -39.95 1 7 1 90 430.484 8 ↓
Lo Low (pH 4.5-6) 1.66 -0.92 -49.95 1 7 1 90 430.484 8 ↓
Lo Low (pH 4.5-6) 1.66 -0.81 -107.95 2 7 2 91 431.492 8 ↓

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