| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 29 | No |
Popular Name: [dihydroxy-methoxy-methyl-[(Z)-pyrazol-3-ylideneamino]BLAHyl]methyl [dihydroxy-methoxy-methyl-[(Z)-p…
| 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) | 0.80 | -4.79 | -48.03 | 6 | 11 | 1 | 160 | 401.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | -6.21 | -14.57 | 5 | 11 | 0 | 165 | 400.395 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | -4.49 | -88.77 | 7 | 11 | 2 | 162 | 402.411 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 16 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 15.5 | 0.38 | Functional ≤ 10μM |
