| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2008 | 31 | No |
Popular Name: (8S)-8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one (8S)-8-tridecyl-1,5,9,13-tetraza…
| 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) | 6.99 | 12.11 | -189.7 | 7 | 5 | 3 | 79 | 441.769 | 12 | ↓ |
| Mid Mid (pH 6-8) | 6.99 | 9.9 | -116.52 | 6 | 5 | 2 | 74 | 440.761 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80126-1-O | DuPro (cluster #1 Of 2), Other | Other | 600 | 0.28 | Functional ≤ 10μM |
| Z80390-5-O | PC-3 (Prostate Carcinoma Cells) (cluster #5 Of 10), Other | Other | 600 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80126 | Z80126 | DuPro | 600 | 0.28 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 600 | 0.28 | Functional ≤ 10μM |
