UCSF

ZINC09177139

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 33 No

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

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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) 3.38 10.63 -53.7 0 6 -1 83 443.454 8 ↓
Mid Mid (pH 6-8) 3.83 1.35 -21.06 1 6 0 79 444.462 7 ↓
Mid Mid (pH 6-8) 2.80 0.82 -12.67 0 6 0 76 444.462 8 ↓
Lo Low (pH 4.5-6) 3.83 10.09 -45.3 2 6 1 81 445.47 7 ↓
Lo Low (pH 4.5-6) 2.80 0.93 -44.87 1 6 1 77 445.47 8 ↓

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