UCSF

ZINC52827851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: N-[(3S)-1-[(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-piperidyl]methanesulfonamide N-[(3S)-1-[(1-methyl-4-oxo-5H-py…

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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) -1.01 -0.19 -21.34 2 9 0 113 340.409 4 ↓
Mid Mid (pH 6-8) -1.01 2.01 -73.05 3 9 1 114 341.417 4 ↓
Mid Mid (pH 6-8) -0.55 -0.62 -58.92 2 9 0 117 340.409 4 ↓

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

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