UCSF

ZINC67967559

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

Popular Name: [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-(3-pyridyl)-1-piperidyl]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) 1.26 9.83 -54.37 1 7 1 68 393.515 6 ↓
Mid Mid (pH 6-8) 1.26 7.71 -16.04 0 7 0 67 392.507 6 ↓
Lo Low (pH 4.5-6) 1.26 10.35 -84.52 2 7 2 69 394.523 6 ↓

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

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