UCSF

ZINC19994640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Popular Name: (5E)-1-(2,5-dimethoxyphenyl)-5-[[2-(1-piperidyl)ethylamino]methylene]-2-thioxo-hexahydropyrimidine-4 (5E)-1-(2,5-dimethoxyphenyl)-5-[…

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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) 1.56 7.83 -57.02 3 8 1 90 419.527 7 ↓
Hi High (pH 8-9.5) 1.56 5.61 -14.87 2 8 0 89 418.519 7 ↓

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

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