| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 40 | No |
Popular Name: 9-isopentyl-1,5-bis[(4-methoxyphenyl)sulfonyl]-3-methylene-1,5,9-triazacyclododecane 9-isopentyl-1,5-bis[(4-methoxyph…
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) | 4.97 | 10.06 | -65.81 | 1 | 9 | 1 | 98 | 594.82 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.97 | 8.3 | -29.68 | 0 | 9 | 0 | 96 | 593.812 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 630 | 0.22 | Functional ≤ 10μM |
| Z80295-1-O | MT4 (Lymphocytes) (cluster #1 Of 8), Other | Other | 290 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 630 | 0.22 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 290 | 0.23 | Functional ≤ 10μM |
