UCSF

ZINC19689501

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 Yes

Popular Name: 3-(4-(Trifluoromethyl)phenyl)-1H-pyrazol-5-amine 3-(4-(Trifluoromethyl)phenyl)-1H…

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CAS Numbers: 130599-34-7 , [130599-34-7]

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) 2.49 4.36 -6.66 3 3 0 55 227.189 2 ↓
Ref Reference (pH 7) 2.18 4.9 -39.31 3 3 1 52 228.197 2 ↓
Mid Mid (pH 6-8) 2.49 4.34 -6.58 3 3 0 55 227.189 2 ↓
Lo Low (pH 4.5-6) 2.49 4.43 -36.89 4 3 1 56 228.197 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 144 - 146 KeyOrganics
Purity 95% Fluorochem

Activity (Go SEA)

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