| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 35 | 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) | 5.49 | 12.62 | -146.06 | 1 | 5 | -2 | 100 | 484.677 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.49 | 10.66 | -56.13 | 2 | 5 | -1 | 98 | 485.685 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.49 | 10.81 | -53.56 | 2 | 5 | -1 | 98 | 485.685 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 7.032 | Bitter DB |
