UCSF

ZINC67225540

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 22 Yes

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

Find On: PubMed — Wikipedia — Google

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) 0.58 2.47 -47.62 0 7 -1 77 302.358 3 ↓
Mid Mid (pH 6-8) 0.12 6.04 -56.25 2 7 1 75 304.374 3 ↓
Mid Mid (pH 6-8) 0.12 3.82 -16.85 1 7 0 74 303.366 3 ↓
Mid Mid (pH 6-8) 0.58 4.67 -67.69 1 7 0 78 303.366 3 ↓

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

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