| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 30 | Yes |
Popular Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine 1-(2,3-dihydro-1,4-benzodioxin-6…
| 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) | 1.62 | 2.6 | -17.8 | 0 | 9 | 0 | 102 | 454.526 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.60e-01 g/l | DrugBank-experimental |
| 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 | 750 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 111 | 0.32 | Binding ≤ 1μM |
| KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 111 | 0.32 | Binding ≤ 10μM |
