UCSF

ZINC08536188

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 21 No

Popular Name: N'-Hydroxy-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzenecarboximidamide N'-Hydroxy-4-{[5-(trifluoromethy…

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CAS Number: 263161-34-8

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) 2.13 2.49 -34.73 4 5 1 80 298.244 5 ↓
Ref Reference (pH 7) 2.01 2.66 -8.22 3 5 0 81 297.236 4 ↓
Ref Reference (pH 7) 2.01 2.55 -8.96 3 5 0 81 297.236 4 ↓
Lo Low (pH 4.5-6) 2.01 2.5 -34.79 4 5 1 82 298.244 4 ↓
Lo Low (pH 4.5-6) 2.01 2.4 -36.97 4 5 1 82 298.244 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.320000000000000e+002 - 1.330000000000000e+002 KeyOrganics
melting_point 132 - 133 KeyOrganics
MP 132-133° Matrix Scientific
Melting_Point 160-163? Alfa-Aesar
Melting_Point 160-163° Alfa-Aesar
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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