| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 28 | Yes |
Popular Name: 4-methyl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]piperazine-1-carboxamide 4-methyl-N-[(3S)-2-oxo-5-phenyl-…
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) | 1.94 | 6.39 | -45.85 | 3 | 7 | 1 | 78 | 378.456 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 4.03 | -13.48 | 2 | 7 | 0 | 77 | 377.448 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.27 | -87.92 | 4 | 7 | 2 | 80 | 379.464 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50678-2-O | Respiratory Syncytial Virus (cluster #2 Of 2), Other | Other | 9300 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50678 | Z50678 | Respiratory Syncytial Virus | 9300 | 0.25 | Functional ≤ 10μM |
