UCSF

ZINC66054323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 23 Yes

Popular Name: 3-Iodo-5-methyl-1-(phenylsulfonyl)-1H-pyrrolo-[2,3-b]pyridine-2-carboxylic acid 3-Iodo-5-methyl-1-(phenylsulfony…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1261365-69-8 , [1261365-69-8]

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) 3.49 8.67 -52.92 0 6 -1 92 441.226 3 ↓

Vendor Notes

Note Type Comments Provided By
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.