UCSF

ZINC52424983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

Popular Name: 1-[1-[2-(azocan-1-yl)ethyl]triazol-4-yl]-N-methyl-methanamine 1-[1-[2-(azocan-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) 1.60 6.1 -94.75 3 5 2 52 253.394 5 ↓
Hi High (pH 8-9.5) 1.60 4.65 -42.48 2 5 1 47 252.386 5 ↓

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

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