| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 31 | No |
Popular Name: [dihydroxy-[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]-methoxy-methyl-BLAHyl]methyl [dihydroxy-[(4-iminocyclohexa-2,…
| 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) | 0.52 | -4.17 | -46.92 | 7 | 10 | 1 | 158 | 426.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | -5.59 | -12.57 | 6 | 10 | 0 | 163 | 425.445 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 19 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 18.8 | 0.35 | Functional ≤ 10μM |
