| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 27 | Yes |
Popular Name: N'-(4-aminobutyl)-N-[2-(9-anthryl)ethyl]butane-1,4-diamine N'-(4-aminobutyl)-N-[2-(9-anthry…
| 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) | 3.17 | 10.89 | -187.99 | 7 | 3 | 3 | 61 | 366.573 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 1), Other | Other | 1600 | 0.30 | Binding ≤ 10μM |
| Z80193-4-O | L1210 (Lymphocytic Leukemia Cells) (cluster #4 Of 12), Other | Other | 3500 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1600 | 0.30 | Binding ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3500 | 0.28 | Functional ≤ 10μM |
