UCSF

ZINC37718610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 Yes

Popular Name: 5-methyl-N-[2-(3-pyridyl)ethyl]pyridin-2-amine 5-methyl-N-[2-(3-pyridyl)ethyl]p…

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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) 1.92 6.3 -31.93 2 3 1 39 214.292 4 ↓
Mid Mid (pH 6-8) 1.92 5.83 -6.93 1 3 0 38 213.284 4 ↓
Lo Low (pH 4.5-6) 1.92 6.77 -78.14 3 3 2 40 215.3 4 ↓

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

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