UCSF

ZINC09359592

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 No

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

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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) 2.90 10.37 -61.77 0 7 -1 95 476.512 8 ↓
Mid Mid (pH 6-8) 2.32 -0.74 -14.44 0 7 0 89 477.52 8 ↓
Mid Mid (pH 6-8) 3.35 10.74 -13.88 1 7 0 93 477.52 7 ↓
Lo Low (pH 4.5-6) 3.35 11.02 -48.32 2 7 1 94 478.528 7 ↓
Lo Low (pH 4.5-6) 3.35 11.03 -61.11 2 7 1 94 478.528 7 ↓
Lo Low (pH 4.5-6) 3.35 11.31 -114.35 3 7 2 95 479.536 7 ↓
Lo Low (pH 4.5-6) 2.32 -0.63 -51.94 1 7 1 90 478.528 8 ↓
Lo Low (pH 4.5-6) 2.32 -0.63 -49.62 1 7 1 90 478.528 8 ↓
Lo Low (pH 4.5-6) 2.32 -0.52 -105.53 2 7 2 91 479.536 8 ↓

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