| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 28 | Yes |
Popular Name: 1-(benzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine 1-(benzenesulfonyl)-4-(2,3-dihyd…
| 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) | 1.56 | 3.3 | -17.08 | 0 | 8 | 0 | 93 | 424.5 | 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 | 202 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 202 | 0.33 | Binding ≤ 1μM |
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 202 | 0.33 | Binding ≤ 10μM |
