| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 27 | No |
Popular Name: [methoxy-methyl-dioxo-(prop-2-ynylamino)BLAHyl]methyl [methoxy-methyl-dioxo-(prop-2-yn…
| 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) | -0.82 | -2.94 | -12.23 | 3 | 9 | 0 | 133 | 372.381 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.82 | -2.96 | -13.28 | 3 | 9 | 0 | 133 | 372.381 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 10 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 9.7 | 0.42 | Functional ≤ 10μM |
