UCSF

ZINC38885431

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 18 Yes

Popular Name: 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole 3-(4-fluorophenyl)-5-phenyl-4H-1…

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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) 3.79 8.28 -7.92 1 3 0 42 239.253 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.92e-02 g/l DrugBank-experimental

Activity (Go SEA)

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