UCSF

ZINC09329382

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 32 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-phenyl-pyrrolidine-2,3-dione 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 3.86 11.97 -73.19 1 6 0 74 436.552 10 ↓
Mid Mid (pH 6-8) 4.30 11.65 -43.03 2 6 1 71 437.56 9 ↓
Mid Mid (pH 6-8) 3.27 1.47 -44.78 1 6 1 68 437.56 10 ↓

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