| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2009 | 25 | Yes |
Popular Name: N-(2-indolo[2,3-b]quinoxalin-6-ylethyl)-N-methyl-butan-1-amine N-(2-indolo[2,3-b]quinoxalin-6-y…
| 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) | 5.09 | 12.16 | -46.84 | 1 | 4 | 1 | 35 | 333.459 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.09 | 9.78 | -11.2 | 0 | 4 | 0 | 34 | 332.451 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50651-1-O | Vesicular Stomatitis Virus (cluster #1 Of 2), Other | Other | 4786 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50651 | Z50651 | Vesicular Stomatitis Virus | 1445.43977 | 0.33 | Functional ≤ 10μM |
