UCSF

ZINC67446956

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 Yes

Popular Name: N-[[2-(azocan-1-yl)-3-pyridyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine N-[[2-(azocan-1-yl)-3-pyridyl]me…

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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) 2.88 10.6 -32.41 2 6 1 64 342.467 6 ↓
Mid Mid (pH 6-8) 2.88 10.11 -6.05 1 6 0 63 341.459 6 ↓
Lo Low (pH 4.5-6) 2.88 11.05 -75.76 3 6 2 66 343.475 6 ↓

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

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