| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 32 | Yes |
Popular Name: N-[3-[3-(acridin-9-ylamino)propylamino]propyl]-N'-(3-aminopropyl)butane-1,4-diamine N-[3-[3-(acridin-9-ylamino)propy…
| 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) | 2.02 | 9.03 | -340.13 | 11 | 6 | 5 | 104 | 441.688 | 17 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 5.88 | -132.65 | 9 | 6 | 3 | 94 | 439.672 | 17 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 5.89 | -141.59 | 9 | 6 | 3 | 94 | 439.672 | 17 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 7.3 | -140.65 | 9 | 6 | 3 | 97 | 439.672 | 17 | ↓ |
| Hi High (pH 8-9.5) | 2.02 | 7.3 | -141.06 | 9 | 6 | 3 | 97 | 439.672 | 17 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 8.65 | -246.6 | 10 | 6 | 4 | 102 | 440.68 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088-2-O | CHO (Ovarian Cells) (cluster #2 Of 4), Other | Other | 2300 | 0.25 | Functional ≤ 10μM |
| Z80094-1-O | CHO-MG (Ovarian Cells) (cluster #1 Of 1), Other | Other | 7300 | 0.22 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 900 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 1300 | 0.26 | Functional ≤ 10μM |
| Z80094 | Z80094 | CHO-MG (Ovarian Cells) | 6100 | 0.23 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 129 | 0.30 | Functional ≤ 10μM |
