UCSF

ZINC69840692

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 2-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2-methoxyethyl)piperazin-…

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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) 1.37 6.68 -85.13 2 6 2 53 318.421 5 ↓
Hi High (pH 8-9.5) 1.37 4.03 -13.28 0 6 0 50 316.405 5 ↓
Mid Mid (pH 6-8) 1.37 4.34 -32.76 1 6 1 51 317.413 5 ↓
Mid Mid (pH 6-8) 1.37 6.36 -41.18 1 6 1 51 317.413 5 ↓

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Rings

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

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