UCSF

ZINC67541423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: 3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]triazolo[4,5-b]pyridine-6-carboxamide 3-methyl-N-[[2-(4-methylpiperazi…

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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) 0.08 6.12 -45.32 2 9 1 93 367.437 4 ↓
Hi High (pH 8-9.5) 0.08 3.75 -13.13 1 9 0 92 366.429 4 ↓
Mid Mid (pH 6-8) 0.08 6.42 -109 3 9 2 95 368.445 4 ↓
Mid Mid (pH 6-8) 0.08 4.04 -47.09 2 9 1 93 367.437 4 ↓

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Rings

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

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