UCSF

ZINC66054816

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 17 Yes

Popular Name: 4-CHLORO-1-(3-METHYLPYRIDIN-4-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE 4-CHLORO-1-(3-METHYLPYRIDIN-4-YL…

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CAS Number: 1207827-22-2

Other Names:

MFCD18711496

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) 1.73 6.41 -7.76 0 5 0 57 245.673 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem

Activity (Go SEA)

Rings

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

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