| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2009 | 32 | No |
| 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) | -1.60 | 0.33 | -30.61 | 5 | 10 | 0 | 181 | 441.416 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | 1.89 | -174.03 | 5 | 10 | -2 | 191 | 440.408 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.60 | 2 | -66.58 | 6 | 10 | 0 | 182 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.60 | 2.57 | -51.14 | 5 | 10 | 0 | 185 | 441.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | 1.17 | -93.22 | 6 | 10 | -1 | 188 | 441.416 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.34 | -0.64 | -24.73 | 6 | 10 | 0 | 178 | 442.424 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -2.34 | 1.02 | -53.02 | 7 | 10 | 1 | 180 | 443.432 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.122 | Bitter DB |
