| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 28 | No |
Popular Name: (9S)-9-phenyl-9-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)nonanoic (9S)-9-phenyl-9-(2,4,5-trimethyl…
| 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) | 5.49 | 14.65 | -48.57 | 0 | 4 | -1 | 74 | 381.492 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.49 | 12.67 | -10.36 | 1 | 4 | 0 | 71 | 382.5 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 5.49 | 12.66 | -9.71 | 1 | 4 | 0 | 71 | 382.5 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-5-O | Oryctolagus Cuniculus (cluster #5 Of 8), Other | Other | 3400 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 3400 | 0.27 | Functional ≤ 10μM |
