UCSF

ZINC67966860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone [6-(diethylaminomethyl)pyrazolo[…

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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) 0.22 6.47 -54 1 7 1 58 345.471 5 ↓
Hi High (pH 8-9.5) 0.22 4.4 -14.71 0 7 0 57 344.463 5 ↓
Mid Mid (pH 6-8) 0.22 8.79 -97.36 2 7 2 59 346.479 5 ↓

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

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