| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 23 | Yes |
Popular Name: N-[3-(1-azacyclopentadec-1-yl)propyl]propane-1,3-diamine N-[3-(1-azacyclopentadec-1-yl)pr…
| 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) | 4.58 | 9.8 | -199.84 | 6 | 3 | 3 | 49 | 328.609 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.58 | 6.22 | -39.86 | 4 | 3 | 1 | 46 | 326.593 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.58 | 6.6 | -110.7 | 5 | 3 | 2 | 47 | 327.601 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-1-O | L1210 (Lymphocytic Leukemia Cells) (cluster #1 Of 1), Other | Other | 9900 | 0.30 | Binding ≤ 10μM |
| Z80094-1-O | CHO-MG (Ovarian Cells) (cluster #1 Of 1), Other | Other | 10000 | 0.30 | Functional ≤ 10μM |
| Z80193-7-O | L1210 (Lymphocytic Leukemia Cells) (cluster #7 Of 12), Other | Other | 3000 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 9900 | 0.30 | Binding ≤ 10μM |
| Z80094 | Z80094 | CHO-MG (Ovarian Cells) | 10000 | 0.30 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 3000 | 0.34 | Functional ≤ 10μM |
