UCSF

ZINC12359521

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: 3-Methoxybenzenesulfonamide 3-Methoxybenzenesulfonamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 58734-57-9 , [58734-57-9]

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 -1.25 -11.13 2 4 0 69 187.22 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
Melting_Point 131-133? Alfa-Aesar
MP 131-133° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0252640A1; US4254260 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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