UCSF

ZINC19997124

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimi (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) 1.19 10.32 -20.56 2 7 0 85 423.42 7 ↓
Mid Mid (pH 6-8) 1.19 10.83 -49.15 3 7 1 86 424.428 7 ↓

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

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