UCSF

ZINC69742119

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 24 Yes

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

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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) 1.75 7.62 -85.48 2 6 2 53 332.448 6 ↓
Hi High (pH 8-9.5) 1.75 4.94 -13.22 0 6 0 50 330.432 6 ↓
Mid Mid (pH 6-8) 1.75 7.26 -41.33 1 6 1 51 331.44 6 ↓
Mid Mid (pH 6-8) 1.75 5.3 -32.7 1 6 1 51 331.44 6 ↓

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Rings

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

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