| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 31 | No |
Popular Name: [dihydroxy-methoxy-methyl-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]BLAHyl]methyl [dihydroxy-methoxy-methyl-[(4-ox…
| 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 | -3.22 | -49.82 | 6 | 10 | 1 | 151 | 427.437 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | -4.65 | -13.73 | 5 | 10 | 0 | 157 | 426.429 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 70 | 0.32 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 6 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 540 | 0.28 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 5.86 | 0.37 | Functional ≤ 10μM |
