| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 25 | Yes |
Popular Name: N-ethyl-N'-[4-[4-(4-ethylaminobutylamino)butylamino]butyl]butane-1,4-diamine N-ethyl-N'-[4-[4-(4-ethylaminobu…
| 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) | 0.40 | 8.82 | -326.36 | 10 | 5 | 5 | 83 | 362.671 | 22 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125-3-O | DU-145 (Prostate Carcinoma) (cluster #3 Of 9), Other | Other | 100 | 0.39 | Functional ≤ 10μM |
| Z80390-5-O | PC-3 (Prostate Carcinoma Cells) (cluster #5 Of 10), Other | Other | 100 | 0.39 | Functional ≤ 10μM |
| Z81170-3-O | LNCaP (Prostate Carcinoma) (cluster #3 Of 5), Other | Other | 100 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 100 | 0.39 | Functional ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 100 | 0.39 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 100 | 0.39 | Functional ≤ 10μM |
