| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 21 | Yes |
Popular Name: (2S)-2-methyl-1-[2,4,6-trihydroxy-3-[(2R)-2-methylbutanoyl]phenyl]butan-1-one (2S)-2-methyl-1-[2,4,6-trihydrox…
| 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) | 3.77 | 2.35 | -54 | 2 | 5 | -1 | 98 | 293.339 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 3.07 | -126.51 | 1 | 5 | -2 | 100 | 292.331 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 3.06 | -120.11 | 1 | 5 | -2 | 100 | 292.331 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 2.49 | -50.56 | 2 | 5 | -1 | 98 | 293.339 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 1.78 | -16.11 | 3 | 5 | 0 | 95 | 294.347 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 2.4 | -43.56 | 2 | 5 | -1 | 98 | 293.339 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 1700 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 1400 | 0.39 | Functional ≤ 10μM |
