| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 30 | Yes |
Popular Name: (2S,5R)-N,N'-bis(1-naphthylmethyl)hexane-2,5-diamine (2S,5R)-N,N'-bis(1-naphthylmethy…
| 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) | 6.20 | 15.43 | -119.13 | 4 | 2 | 2 | 33 | 398.594 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390-3-O | PC-3 (Prostate Carcinoma Cells) (cluster #3 Of 10), Other | Other | 7000 | 0.24 | Functional ≤ 10μM |
| Z81252-6-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #6 Of 11), Other | Other | 5000 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 5000 | 0.25 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 7000 | 0.24 | Functional ≤ 10μM |
