UCSF

ZINC21538137

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 Yes

Popular Name: (5S)-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-[2-(2,5-dimethylpyrrol…

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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) 2.88 11.44 -9.57 0 6 0 44 393.535 5 ↓
Mid Mid (pH 6-8) -0.11 11.04 -43.02 2 6 1 55 394.543 5 ↓
Mid Mid (pH 6-8) -0.11 13.26 -19.31 1 6 0 54 393.535 5 ↓
Mid Mid (pH 6-8) -0.11 15.53 -73.37 2 6 1 55 394.543 5 ↓

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

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