UCSF

ZINC52381950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 Yes

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

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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) 0.72 3.59 -100.32 4 5 2 63 225.34 4 ↓
Hi High (pH 8-9.5) 0.72 3.19 -45.92 3 5 1 61 224.332 4 ↓

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

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