UCSF

ZINC14984260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 10 Yes

Popular Name: 1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one 1,3-Dihydro-2H-pyrrolo[2,3-b]pyr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1261802-66-7 , 1427367-62-1 , 5654-97-7 , [1261802-66-7] , [5654-97-7]

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) 1.17 0.13 -7.38 2 3 0 49 134.138 0 ↓
Ref Reference (pH 7) 0.21 2.17 -8.45 1 3 0 42 134.138 0 ↓
Mid Mid (pH 6-8) 1.17 0.9 -43.35 1 3 -1 52 133.13 0 ↓
Lo Low (pH 4.5-6) 0.21 2.41 -37.4 2 3 1 43 135.146 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999048868A2; WO2000008202A2 IBM Patent Data

Activity (Go SEA)

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