UCSF

ZINC69057054

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 24 Yes

Popular Name: 2-[[(4-ethylphenyl)methyl-methyl-amino]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[(4-ethylphenyl)methyl-methyl…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.81 9.99 -33.97 1 4 1 39 322.432 5 ↓
Mid Mid (pH 6-8) 3.81 9.59 -12.26 0 4 0 38 321.424 5 ↓
Mid Mid (pH 6-8) 3.81 11.96 -44.34 1 4 1 39 322.432 5 ↓

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

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