| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2010 | 25 | 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) | 1.56 | 5.41 | -48.75 | 3 | 5 | 1 | 66 | 340.447 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.56 | 3.15 | -12.19 | 2 | 5 | 0 | 65 | 339.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 5.53 | -105.17 | 4 | 5 | 2 | 68 | 341.455 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 5.735 | Bitter DB |
