UCSF

ZINC69491311

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 5-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine 5-[[1-(3-fluorophenyl)pyrazol-3-…

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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 9.15 -33.61 1 5 1 40 312.372 3 ↓
Hi High (pH 8-9.5) 1.19 8.69 -18.54 0 5 0 39 311.364 3 ↓
Lo Low (pH 4.5-6) 1.19 11.39 -97.02 2 5 2 41 313.38 3 ↓

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

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