UCSF

ZINC52483161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

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

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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) 2.14 9.07 -40.82 2 3 1 33 284.427 8 ↓
Mid Mid (pH 6-8) 2.14 9.53 -89.08 3 3 2 34 285.435 8 ↓

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

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