UCSF

ZINC55148653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

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

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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) 2.21 5.76 -21.01 0 6 0 78 344.392 4 ↓
Lo Low (pH 4.5-6) 2.21 6.29 -50.51 1 6 1 79 345.4 4 ↓

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

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