UCSF

ZINC71790258

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 11 Yes

Popular Name: 1,3-dimethyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazine 1,3-dimethyl-1H,4H,5H,6H-pyrazol…

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CAS Number: 1354952-12-7

Other Names:

MFCD20501912

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) 0.98 2.41 -7.73 1 3 0 30 169.253 0 ↓
Lo Low (pH 4.5-6) 0.98 2.53 -25.02 2 3 1 31 170.261 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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