| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 34 | Yes |
Popular Name: N-[2-(4-aminobutylamino)ethyl]-N-(9-anthrylmethyl)-4-methyl-benzenesulfonamide N-[2-(4-aminobutylamino)ethyl]-N…
| 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) | 4.17 | 10.62 | -108.06 | 5 | 5 | 2 | 82 | 477.674 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.17 | 9.28 | -52.49 | 4 | 5 | 1 | 77 | 476.666 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088-1-O | CHO (Ovarian Cells) (cluster #1 Of 4), Other | Other | 5100 | 0.22 | Functional ≤ 10μM |
| Z80094-1-O | CHO-MG (Ovarian Cells) (cluster #1 Of 1), Other | Other | 7100 | 0.21 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 3900 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 5100 | 0.22 | Functional ≤ 10μM |
| Z80094 | Z80094 | CHO-MG (Ovarian Cells) | 7100 | 0.21 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3300 | 0.23 | Functional ≤ 10μM |
