| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 33 | Yes |
Popular Name: N,N'-bis[3-(cycloheptylmethylamino)propyl]heptane-1,7-diamine N,N'-bis[3-(cycloheptylmethylami…
| 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) | 6.24 | 15.48 | -260.35 | 8 | 4 | 4 | 66 | 468.859 | 20 | ↓ |
| Hi High (pH 8-9.5) | 6.24 | 14.06 | -170.98 | 7 | 4 | 3 | 62 | 467.851 | 20 | ↓ |
| Hi High (pH 8-9.5) | 6.24 | 14.14 | -174.46 | 7 | 4 | 3 | 62 | 467.851 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-3-O | Trypanosoma Brucei (cluster #3 Of 6), Other | Other | 980 | 0.25 | Functional ≤ 10μM |
| Z80310-1-O | NCH82 (cluster #1 Of 1), Other | Other | 1500 | 0.25 | Functional ≤ 10μM |
| Z80878-2-O | NCI-H157 (Non-small Cell Lung Carcinoma Cells) (cluster #2 Of 2), Other | Other | 2100 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80310 | Z80310 | NCH82 | 1500 | 0.25 | Functional ≤ 10μM |
| Z80878 | Z80878 | NCI-H157 (Non-small Cell Lung Carcinoma Cells) | 2100 | 0.24 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 125 | 0.29 | Functional ≤ 10μM |
