| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2009 | 26 | Yes |
Popular Name: 6-[2-(4-methylpiperazin-1-yl)ethyl]indolo[2,3-b]quinoxaline 6-[2-(4-methylpiperazin-1-yl)eth…
| 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) | 3.55 | 9.42 | -43.81 | 1 | 5 | 1 | 38 | 346.458 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 9.29 | -47.22 | 1 | 5 | 1 | 38 | 346.458 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.55 | 6.96 | -11.58 | 0 | 5 | 0 | 37 | 345.45 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50651-1-O | Vesicular Stomatitis Virus (cluster #1 Of 2), Other | Other | 4786 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50651 | Z50651 | Vesicular Stomatitis Virus | 1380.38426 | 0.32 | Functional ≤ 10μM |
