UCSF

ZINC14008680

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 33 No

Popular Name: (2E,5E)-5-[[1-(4-diethylaminophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-(p-tolylimino)thiazolidin (2E,5E)-5-[[1-(4-diethylaminophe…

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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) 6.57 15.55 -10.23 1 5 0 53 458.631 6 ↓
Mid Mid (pH 6-8) 6.57 15.63 -84.59 2 5 0 55 459.639 6 ↓
Mid Mid (pH 6-8) 6.57 15.22 -84.79 2 5 0 55 459.639 6 ↓

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

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