UCSF

ZINC66323502

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 1332529-67-5

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) 2.34 6.64 -48.38 2 4 1 44 272.372 4 ↓
Hi High (pH 8-9.5) 2.34 5.28 -9.27 1 4 0 39 271.364 4 ↓

Vendor Notes

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

Activity (Go SEA)

Rings

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

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