UCSF

ZINC00949647

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 37 No

Popular Name: (E)-3-(4-benzoxyphenyl)-N-(5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-2-cyano-acr (E)-3-(4-benzoxyphenyl)-N-(5-ben…

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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) 5.62 15.67 -51.33 2 6 1 79 507.639 8 ↓
Mid Mid (pH 6-8) 5.62 13.4 -14.37 1 6 0 78 506.631 8 ↓

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

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