| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 41 | No |
Popular Name: AcDRGDS AcDRGDS
| 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) | -5.62 | -5.44 | -173.42 | 11 | 20 | -2 | 350 | 588.531 | 20 | ↓ |
| Lo Low (pH 4.5-6) | -5.62 | -6.57 | -129.46 | 12 | 20 | -1 | 347 | 589.539 | 20 | ↓ |
| Lo Low (pH 4.5-6) | -5.62 | -6.57 | -119.52 | 12 | 20 | -1 | 347 | 589.539 | 20 | ↓ |
| 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 | 20 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 20 | 0.26 | Binding ≤ 1μM |
| Z104292 | Z104292 | Integrin Alpha-V/beta-3 | 20 | 0.26 | Binding ≤ 10μM |
