UCSF

ZINC52575161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 14 Yes

Popular Name: [1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(1,2,4-triazol-1-yl)ethyl]…

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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) -1.58 2.3 -54.07 3 7 1 89 194.222 4 ↓
Hi High (pH 8-9.5) -1.58 1.9 -12.66 2 7 0 87 193.214 4 ↓

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

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