UCSF

ZINC52381934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Popular Name: 1-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(azepan-1-yl)ethyl]triaz…

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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) 1.09 5.46 -95.72 3 5 2 52 239.367 5 ↓
Hi High (pH 8-9.5) 1.09 4.01 -43.71 2 5 1 47 238.359 5 ↓

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

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