| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 21st, 2008 | 32 | Yes |
Popular Name: 1,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine 1,4-bis(2,3-dihydro-1,4-benzodio…
| 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) | 1.07 | 2.46 | -19.06 | 0 | 10 | 0 | 112 | 482.536 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPYM-1-E | Pyruvate Kinase Isozymes M1/M2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 270 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 270 | 0.29 | Binding ≤ 1μM |
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 270 | 0.29 | Binding ≤ 10μM |
