UCSF

ZINC37309002

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 Yes

Popular Name: 1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-2-carboxylic acid hydrochloride 1-{1-methyl-1H-pyrazolo[3,4-d]py…

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CAS Number: 1803570-61-7

Other Names:

MFCD28012454

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) -1.00 6.82 -50.34 0 7 -1 87 260.277 2 ↓

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.