| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 36 | Yes |
Popular Name: (2S)-2,6-diamino-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxo-acridin-2-yl]hexanamide (2S)-2,6-diamino-N-[10-[(3,5-dim…
None
| 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) | 1.35 | 6.75 | -122.91 | 7 | 8 | 2 | 125 | 490.604 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 6.46 | -66.16 | 6 | 8 | 1 | 123 | 489.596 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 750 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 750 | 0.24 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
