UCSF

ZINC00949643

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 No

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

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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) 3.61 11.58 -51.95 2 7 1 89 461.567 7 ↓
Mid Mid (pH 6-8) 3.61 9.31 -14.3 1 7 0 87 460.559 7 ↓

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

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