| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 27 | No |
Popular Name: (8S)-8-phenyl-8-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)octanoic (8S)-8-phenyl-8-(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) | 4.99 | 13.87 | -49.5 | 0 | 4 | -1 | 74 | 367.465 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.99 | 11.89 | -11.15 | 1 | 4 | 0 | 71 | 368.473 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.99 | 11.88 | -10.47 | 1 | 4 | 0 | 71 | 368.473 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-5-O | Oryctolagus Cuniculus (cluster #5 Of 8), Other | Other | 3200 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 3200 | 0.28 | Functional ≤ 10μM |
