UCSF

ZINC67491046

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 Yes

Popular Name: 2-[[2-[benzyl(methyl)amino]-3-pyridyl]methylamino]pyridine-4-carboxamide 2-[[2-[benzyl(methyl)amino]-3-py…

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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) 1.62 7.32 -36.49 4 6 1 85 348.43 7 ↓
Mid Mid (pH 6-8) 1.62 6.81 -12.22 3 6 0 84 347.422 7 ↓
Lo Low (pH 4.5-6) 1.62 7.8 -92.07 5 6 2 87 349.438 7 ↓

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

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