UCSF

ZINC52483138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

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

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Download: MOL2 SDF SMILES Flexibase

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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) 1.82 6.64 -41.79 2 3 1 33 270.4 7 ↓
Mid Mid (pH 6-8) 1.82 7.1 -77.24 3 3 2 34 271.408 7 ↓

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

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