UCSF

ZINC13209242

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 17 Yes

Popular Name: 4-(((alpha-Methylphenethyl)amino)methyl)pyridine maleate; BS-26; LS-131821; Pyridine, 4-(((alpha-methylphenethyl)amino)methyl)-, maleate (1:1) 4-(((alpha-Methylphenethyl)amino…

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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) 2.34 6.64 -4.04 1 2 0 25 226.323 5 ↓
Mid Mid (pH 6-8) 2.34 7.83 -42.22 2 2 1 29 227.331 5 ↓
Lo Low (pH 4.5-6) 2.34 7.1 -31.95 2 2 1 26 227.331 5 ↓

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

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