UCSF

ZINC01382812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 Yes

Popular Name: 1-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid 1-{[3-chloro-5-(trifluoromethyl)…

Find On: PubMed — Wikipedia — Google

CAS Number: 477886-68-3

Other Names:

MFCD00794175

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) 2.26 3.06 -69.15 1 6 -1 87 346.672 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 229 - 231 KeyOrganics

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.