UCSF

ZINC67954603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 21 Yes

Popular Name: 5-[[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]methyl]-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 5-[[4-hydroxy-4-(hydroxymethyl)-…

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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) -0.30 -0.99 -19.74 3 7 0 94 292.339 3 ↓
Mid Mid (pH 6-8) 0.16 0.71 -54.04 3 7 0 98 292.339 3 ↓
Lo Low (pH 4.5-6) -0.30 1.33 -65.81 4 7 1 95 293.347 3 ↓

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

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