UCSF

ZINC05563390

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 29 No

Popular Name: 1-(2-dimethylaminoethyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(2-thienyl)pyrrolidine-2,3-dio 1-(2-dimethylaminoethyl)-4-[hydr…

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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) 3.55 0.65 -43 2 6 1 71 415.535 7 ↓
Mid Mid (pH 6-8) 3.55 0.24 -48.42 2 6 1 71 415.535 7 ↓
Mid Mid (pH 6-8) 2.52 0.32 -56.7 1 6 1 68 415.535 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.