UCSF

ZINC19688913

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Popular Name: 4-ethyl-5-(4-fluoro-phenyl)-2h-pyrazol-3-ylamine 4-ethyl-5-(4-fluoro-phenyl)-2h-p…

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CAS Numbers: 1187560-99-1 , N/A

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) 2.61 4.68 -8.61 3 3 0 55 205.236 2 ↓
Lo Low (pH 4.5-6) 2.61 4.79 -34.05 4 3 1 56 206.244 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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