UCSF

ZINC54918229

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 Yes

Popular Name: N-[(2,5-dimethoxyphenyl)methyl]-2-(4-pyridyl)ethanamine N-[(2,5-dimethoxyphenyl)methyl]-…

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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) 2.05 4.53 -7.04 1 4 0 43 272.348 7 ↓
Mid Mid (pH 6-8) 2.05 4.99 -34.49 2 4 1 45 273.356 7 ↓
Lo Low (pH 4.5-6) 2.05 5.92 -44.95 2 4 1 48 273.356 7 ↓

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

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