UCSF

ZINC66054400

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 19 Yes

Popular Name: 6-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine 6-Bromo-1-(phenylsulfonyl)-1H-py…

Find On: PubMed — Wikipedia — Google

CAS Number: 1305325-23-8

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) 3.19 5.38 -9.9 0 4 0 52 337.198 2 ↓

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.