UCSF

ZINC14984295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 11 Yes

Popular Name: 5-Chloro-1H-pyrrolo[3,2-b]pyridin-2(3H)-one 5-Chloro-1H-pyrrolo[3,2-b]pyridi…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136888-08-9 , [136888-08-9]

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) 1.34 1.56 -7.59 1 3 0 42 168.583 0 ↓
Ref Reference (pH 7) 2.19 0.24 -41.59 1 3 -1 52 167.575 0 ↓
Mid Mid (pH 6-8) 2.19 -0.53 -8.93 2 3 0 49 168.583 0 ↓

Vendor Notes

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

Activity (Go SEA)

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

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