UCSF

ZINC65311566

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 23 Yes

Popular Name: N-methyl-N-[[5-methyl-7-(1-piperidyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]butan-1-amine N-methyl-N-[[5-methyl-7-(1-piper…

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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) 2.76 13.02 -37.11 1 6 1 51 317.461 6 ↓
Hi High (pH 8-9.5) 2.76 10.72 -12.27 0 6 0 50 316.453 6 ↓

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

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