| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2007 | 22 | 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) | 3.69 | 4.6 | -28.11 | 4 | 5 | 1 | 78 | 311.39 | 4 | ↓ |
| Ref Reference (pH 7) | 2.78 | 8.04 | -16.11 | 3 | 5 | 0 | 72 | 310.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 6.81 | -53.08 | 2 | 5 | -1 | 79 | 309.374 | 4 | ↓ |
