| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 31 | Yes |
Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-(1-naphthyl)ethyl]piperidine-4-carboxamide N-(1,3-benzodioxol-5-ylmethyl)-1…
| 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) | 4.63 | 11.62 | -47.56 | 2 | 5 | 1 | 52 | 417.529 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 9.8 | -11.24 | 1 | 5 | 0 | 51 | 416.521 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100499-1-O | SARS Coronavirus (cluster #1 Of 2), Other | Other | 9100 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100499 | Z100499 | SARS Coronavirus | 9100 | 0.23 | Functional ≤ 10μM |
