UCSF

ZINC44136866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 9 Yes

Popular Name: 4,5,6,7-Tetrahydro-2H-pyrazolo[4,3-b]pyridine hydrochloride 4,5,6,7-Tetrahydro-2H-pyrazolo[4…

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CAS Numbers: 1187830-47-2 , 1189853-67-5 , 933705-52-3 , [1187830-47-2]

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) 0.66 0.75 -5.34 2 3 0 41 123.159 0 ↓
Ref Reference (pH 7) 0.66 0.75 -5.89 2 3 0 41 123.159 0 ↓
Lo Low (pH 4.5-6) 0.66 1.25 -40.22 3 3 1 45 124.167 0 ↓
Lo Low (pH 4.5-6) 0.66 1.23 -37.66 3 3 1 45 124.167 0 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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