UCSF

ZINC52374396

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 Yes

Popular Name: N-[[1-(2-isoindolin-2-ylethyl)triazol-4-yl]methyl]ethanamine N-[[1-(2-isoindolin-2-ylethyl)tr…

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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) 1.04 7.18 -100.79 3 5 2 52 273.384 6 ↓
Hi High (pH 8-9.5) 1.04 5.8 -47.79 2 5 1 47 272.376 6 ↓

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

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