UCSF

ZINC37336501

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 Yes

Popular Name: 3-[(2S)-2-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(2S)-2-piperidyl]-6-(trifluor…

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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) 2.37 7.3 -41.87 2 4 1 47 271.266 2 ↓
Hi High (pH 8-9.5) 2.37 6 -9.17 1 4 0 42 270.258 2 ↓

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

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