UCSF

ZINC09009015

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 No

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

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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) 3.41 9.63 -60.28 0 6 -1 83 478.322 6 ↓
Mid Mid (pH 6-8) 2.82 9.19 -13.29 0 6 0 77 479.33 6 ↓
Mid Mid (pH 6-8) 3.85 8.52 -14.76 1 6 0 80 479.33 5 ↓
Lo Low (pH 4.5-6) 3.85 8.8 -40.34 2 6 1 81 480.338 5 ↓
Lo Low (pH 4.5-6) 2.82 9.47 -42.25 1 6 1 78 480.338 6 ↓

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