UCSF

ZINC37719313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(4-pyridyl)ethanamine N-[[2-(aminomethyl)phenyl]methyl…

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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) 1.39 6.78 -46.52 3 3 1 44 256.373 6 ↓
Mid Mid (pH 6-8) 1.39 7.24 -93.63 4 3 2 45 257.381 6 ↓

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

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