| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 23 | Yes |
Popular Name: 5-chloro-3-(o-tolylsulfonyl)-1H-indole-2-carboxamide 5-chloro-3-(o-tolylsulfonyl)-1H-…
| 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) | 3.04 | -5.2 | -18.08 | 3 | 5 | 0 | 93 | 348.811 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 1 | 0.55 | Functional ≤ 10μM |
| Z80052-1-O | C8166 (Leukemic T-cells) (cluster #1 Of 3), Other | Other | 5 | 0.51 | Functional ≤ 10μM |
| Z80295-8-O | MT4 (Lymphocytes) (cluster #8 Of 8), Other | Other | 1 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80052 | Z80052 | C8166 (Leukemic T-cells) | 10000 | 0.30 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1 | 0.55 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 1 | 0.55 | Functional ≤ 10μM |
