| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 25 | No |
Popular Name: ethyl ethyl
| 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) | -1.37 | -1.31 | -16.11 | 3 | 10 | 0 | 155 | 351.315 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.92 | -3.79 | -50.61 | 2 | 10 | -1 | 158 | 350.307 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 1900 | 0.32 | Functional ≤ 10μM |
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 8300 | 0.28 | Functional ≤ 10μM |
| Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 1900 | 0.32 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 7600 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50599 | Z50599 | Cowpox Virus | 1900 | 0.32 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 7600 | 0.29 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 8300 | 0.28 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 1900 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.