UCSF

ZINC66323486

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 20 Yes

Popular Name: 3-{[(2-Fluorobenzyl)oxy]methyl}-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine hydrochloride 3-{[(2-Fluorobenzyl)oxy]methyl}-…

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CAS Numbers: , 1332531-31-3

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) 2.06 6.13 -48.95 2 4 1 44 276.335 4 ↓
Hi High (pH 8-9.5) 2.06 4.77 -9.47 1 4 0 39 275.327 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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