UCSF

ZINC09236423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 32 No

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

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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) 0.95 6.3 -61.9 0 8 -1 105 430.44 7 ↓
Mid Mid (pH 6-8) 1.40 6.27 -19.47 1 8 0 102 431.448 6 ↓
Mid Mid (pH 6-8) 0.37 -0.75 -18.37 0 8 0 98 431.448 7 ↓
Lo Low (pH 4.5-6) 1.40 6.86 -118.08 3 8 2 104 433.464 6 ↓
Lo Low (pH 4.5-6) 1.40 6.58 -60.46 2 8 1 103 432.456 6 ↓
Lo Low (pH 4.5-6) 0.37 -0.64 -43.21 1 8 1 99 432.456 7 ↓
Lo Low (pH 4.5-6) 0.37 -0.63 -52.82 1 8 1 99 432.456 7 ↓
Lo Low (pH 4.5-6) 0.37 -0.52 -111.21 2 8 2 101 433.464 7 ↓
Lo Low (pH 4.5-6) 1.40 6.54 -42.11 2 8 1 103 432.456 6 ↓

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