UCSF

ZINC69150573

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 25 Yes

Popular Name: 2-[[[3-(2-methoxyethoxy)phenyl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[[3-(2-methoxyethoxy)phenyl]m…

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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) 2.17 7.58 -51.54 2 6 1 69 340.403 8 ↓
Hi High (pH 8-9.5) 2.17 6.22 -17.44 1 6 0 65 339.395 8 ↓
Lo Low (pH 4.5-6) 2.17 8.01 -120.88 3 6 2 71 341.411 8 ↓

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

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