UCSF

ZINC67459651

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: 1-[(4-fluorophenyl)methyl]-5-(5-hydroxy-5-oxo-pentanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-ca 1-[(4-fluorophenyl)methyl]-5-(5-…

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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) 1.58 10.11 -110.15 0 8 -2 118 387.367 7 ↓
Lo Low (pH 4.5-6) 1.58 8.13 -57.17 1 8 -1 116 388.375 7 ↓

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

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