| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2008 | 35 | Yes |
Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-2-(8-quinolylsulfonylamino)propanamide (2S)-N-(1,3-benzodioxol-5-ylmeth…
| 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) | 3.15 | 7.46 | -22.85 | 2 | 8 | 0 | 107 | 489.553 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 7 | -62.49 | 1 | 8 | -1 | 109 | 488.545 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104292-1-O | Integrin Alpha-V/beta-3 (cluster #1 Of 1), Other | Other | 2 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 1.6 | 0.35 | Binding ≤ 1μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 1.6 | 0.35 | Binding ≤ 10μM |
