UCSF

ZINC04852177

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 26 No

Popular Name: 2-(4-fluorophenyl)-5-methyl-4-{[(2-methyl-1H-benzimidazol-6-yl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one 2-(4-fluorophenyl)-5-methyl-4-{[…

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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) 2.45 8.18 -19.36 2 6 0 76 349.369 3 ↓
Lo Low (pH 4.5-6) 2.97 6 -13.05 2 6 0 79 349.369 3 ↓
Lo Low (pH 4.5-6) 2.97 6.42 -35.77 3 6 1 80 350.377 3 ↓
Lo Low (pH 4.5-6) 2.45 8.62 -48.55 3 6 1 77 350.377 3 ↓
Lo Low (pH 4.5-6) 2.45 8.17 -23.15 2 6 0 76 349.369 3 ↓

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