UCSF

ZINC16052350

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2008 18 Yes

Popular Name: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL…

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Download: MOL2 SDF SMILES Flexibase

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) 2.59 6.22 -7.73 1 3 0 42 239.253 2 ↓
Ref Reference (pH 7) 2.59 6.38 -6.15 1 3 0 42 239.253 2 ↓
Lo Low (pH 4.5-6) 2.59 6.64 -39.49 2 3 1 43 240.261 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.89e-02 g/l DrugBank-experimental

Activity (Go SEA)

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