| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2009 | 24 | Yes |
Popular Name: N-ethyl-N'-[3-[3-(2-phenylsulfanylethylamino)propylamino]propyl]propane-1,3-diamine N-ethyl-N'-[3-[3-(2-phenylsulfan…
None
| 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) | 1.30 | 9.02 | -286.5 | 8 | 4 | 4 | 66 | 356.624 | 17 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 6.34 | -89.54 | 6 | 4 | 2 | 57 | 354.608 | 17 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 7.68 | -189.6 | 7 | 4 | 3 | 62 | 355.616 | 17 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 7.68 | -172.6 | 7 | 4 | 3 | 62 | 355.616 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80878-2-O | NCI-H157 (Non-small Cell Lung Carcinoma Cells) (cluster #2 Of 2), Other | Other | 300 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80878 | Z80878 | NCI-H157 (Non-small Cell Lung Carcinoma Cells) | 300 | 0.38 | Functional ≤ 10μM |
