UCSF

ZINC37467542

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 16 Yes

Popular Name: (1R)-N-methyl-2-phenyl-1-(3-pyridyl)ethanamine (1R)-N-methyl-2-phenyl-1-(3-pyri…

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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) 2.25 6.97 -39.66 2 2 1 29 213.304 4 ↓
Hi High (pH 8-9.5) 2.25 5.92 -4.59 1 2 0 25 212.296 4 ↓
Lo Low (pH 4.5-6) 2.25 7.46 -102.65 3 2 2 31 214.312 4 ↓

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