UCSF

ZINC52574411

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 Yes

Popular Name: N-[[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(3,5-dimethyl-1,2,4-tri…

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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) -0.65 4.7 -46.66 2 7 1 78 250.33 6 ↓
Hi High (pH 8-9.5) -0.65 3.32 -10.67 1 7 0 73 249.322 6 ↓
Lo Low (pH 4.5-6) -0.65 5.13 -85.02 3 7 2 79 251.338 6 ↓

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

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