UCSF

ZINC19996713

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 28 No

Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-1-(2,4,6-trimethylphenyl)hexahydropyrimidine-2,4,6-tr (5E)-5-[(3-imidazol-1-ylpropylam…

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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) 1.39 9.86 -19.86 2 8 0 102 381.436 6 ↓
Ref Reference (pH 7) 1.39 9.86 -19.89 2 8 0 102 381.436 6 ↓
Mid Mid (pH 6-8) 1.39 10.37 -47.2 3 8 1 103 382.444 6 ↓
Mid Mid (pH 6-8) 1.39 10.38 -47.55 3 8 1 103 382.444 6 ↓

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

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