| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 17 | Yes |
| 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) | 3.41 | 10.09 | -32.18 | 3 | 3 | 1 | 45 | 230.335 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 9.62 | -8.59 | 2 | 3 | 0 | 44 | 229.327 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117-2-O | Pseudomonas Aeruginosa (cluster #2 Of 2), Other | Other | 2100 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50117 | Z50117 | Pseudomonas Aeruginosa | 2100 | 0.47 | Functional ≤ 10μM |
