UCSF

ZINC61378389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: 2-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[2-[2-methoxyethyl(methyl)ami…

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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) 0.86 3.84 -47.57 2 6 1 63 291.375 8 ↓
Hi High (pH 8-9.5) 0.86 2.48 -13.61 1 6 0 59 290.367 8 ↓
Lo Low (pH 4.5-6) 0.86 6.2 -120.54 3 6 2 65 292.383 8 ↓
Lo Low (pH 4.5-6) 0.86 6.63 -210.82 4 6 3 66 293.391 8 ↓

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Rings

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

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