UCSF

ZINC09361278

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 31 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxyphenyl)-methylene]-5-(2-thienyl)pyrrolidine-2,3-dio 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) 3.76 11.2 -76.42 1 6 0 74 442.581 10 ↓
Mid Mid (pH 6-8) 4.20 10.46 -42.93 2 6 1 71 443.589 9 ↓
Mid Mid (pH 6-8) 3.17 0.34 -44.48 1 6 1 68 443.589 10 ↓

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