UCSF

ZINC52424989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Popular Name: N-[[1-[2-(azocan-1-yl)ethyl]triazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-[2-(azocan-1-yl)ethyl]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) 2.79 7.91 -92.27 3 5 2 52 295.475 6 ↓
Hi High (pH 8-9.5) 2.79 6.67 -41.92 2 5 1 47 294.467 6 ↓

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

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