| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 21 | Yes |
Popular Name: 3-(phenylthio)-1H-indole-2-carboxylic-acid-ethyl-ester 3-(phenylthio)-1H-indole-2-carbo…
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) | 4.50 | 9.9 | -8.54 | 1 | 3 | 0 | 42 | 297.379 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-4-O | Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other | Other | 1400 | 0.39 | Functional ≤ 10μM |
| Z80295-6-O | MT4 (Lymphocytes) (cluster #6 Of 8), Other | Other | 1400 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 1400 | 0.39 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 1400 | 0.39 | Functional ≤ 10μM |
