UCSF

ZINC67225547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 27 Yes

Popular Name: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-5-methyl-4H-pyrazolo[1,5-a]pyrimidin-7-one 3-[4-(2,3-dimethylphenyl)piperaz…

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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) 2.20 7.54 -48.06 0 7 -1 77 364.429 2 ↓
Mid Mid (pH 6-8) 1.75 8.86 -17.22 1 7 0 74 365.437 2 ↓
Mid Mid (pH 6-8) 2.20 7.39 -62.72 1 7 0 78 365.437 2 ↓
Lo Low (pH 4.5-6) 1.75 8.77 -52.37 2 7 1 75 366.445 2 ↓

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Rings

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

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