UCSF

ZINC00154211

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: 2-(Trifluoromethyl)-1,6-naphthyridine-3-carboxylic acid 2-(Trifluoromethyl)-1,6-naphthyr…

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CAS Numbers: 240408-97-3 , [240408-97-3]

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) 2.00 3.65 -45.5 0 4 -1 66 241.148 2 ↓
Lo Low (pH 4.5-6) 2.00 3.94 -67.41 1 4 0 67 242.156 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 233-235° Matrix Scientific
Purity 97% Fluorochem
Warnings Irritant Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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