UCSF

ZINC59417350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 29 No

Popular Name: (5E)-5-[[4-(dimethylamino)-3-nitro-phenyl]methylene]-1-(4-fluorophenyl)hexahydropyrimidine-2,4,6-tri (5E)-5-[[4-(dimethylamino)-3-nit…

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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) 2.25 6.76 -38.03 0 9 -1 124 397.342 4 ↓
Lo Low (pH 4.5-6) 1.79 9.21 -12.34 1 9 0 121 398.35 4 ↓

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

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