UCSF

ZINC19445405

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

Popular Name: 5-[(1R)-1-[(2,3-difluorophenyl)methylamino]-2-methyl-propyl]-2-tetrahydropyran-4-yl-pyrazolo[5,1-b]p 5-[(1R)-1-[(2,3-difluorophenyl)m…

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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) 3.57 9.49 -73.35 3 6 1 76 417.48 6 ↓
Hi High (pH 8-9.5) 4.02 6.49 -48.14 1 6 -1 75 415.464 6 ↓
Hi High (pH 8-9.5) 3.57 8.34 -23.42 2 6 0 71 416.472 6 ↓

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

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