UCSF

ZINC16916053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 11 Yes

Popular Name: 3,4-Dihydro-1H-quinoxalin-2-one 3,4-Dihydro-1H-quinoxalin-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59564-59-9 , [59564-59-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.16 1.11 -6.54 2 3 0 41 148.165 0 ↓
Ref Reference (pH 7) 0.97 -1.54 -6.38 2 3 0 45 148.165 0 ↓
Lo Low (pH 4.5-6) 0.97 -0.51 -31.21 3 3 1 46 149.173 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
MP 140-143° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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