UCSF

ZINC52345250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 Yes

Popular Name: 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[(1-methylpyrazol-4-yl)methyl…

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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) 0.62 5.88 -52.59 2 6 1 69 270.316 4 ↓
Hi High (pH 8-9.5) 0.62 4.53 -17.26 1 6 0 64 269.308 4 ↓
Lo Low (pH 4.5-6) 0.62 4.96 -42.01 2 6 1 65 270.316 4 ↓
Lo Low (pH 4.5-6) 0.62 6.32 -120.97 3 6 2 70 271.324 4 ↓

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Rings

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

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