UCSF

ZINC22733914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 No

Popular Name: (E)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-methylamino-3 (E)-1-(4-acetyl-3,5-dimethyl-1H-…

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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) -1.52 11.81 -40.02 2 5 0 66 399.56 8 ↓
Mid Mid (pH 6-8) -1.52 11.34 -39.28 2 5 1 66 400.568 8 ↓

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

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