UCSF

ZINC59819568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 17 Yes

Popular Name: 4-[5-(4-pyridyl)-2H-triazol-4-yl]pyridine 4-[5-(4-pyridyl)-2H-triazol-4-yl…

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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) 0.55 2.89 -7.02 1 5 0 67 223.239 2 ↓
Hi High (pH 8-9.5) 0.55 2.87 -38.54 0 5 -1 66 222.231 2 ↓
Lo Low (pH 4.5-6) 0.55 3.35 -40.9 2 5 1 69 224.247 2 ↓

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

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