UCSF

ZINC52574410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 17 Yes

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

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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) -1.03 3.85 -51.85 2 7 1 78 236.303 5 ↓
Hi High (pH 8-9.5) -1.03 2.4 -15.82 1 7 0 73 235.295 5 ↓
Lo Low (pH 4.5-6) -1.03 4.28 -91.73 3 7 2 79 237.311 5 ↓

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

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