| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 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) | 3.31 | 8.94 | -118.5 | 4 | 4 | 2 | 46 | 343.515 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 7.3 | -31.67 | 2 | 4 | 0 | 48 | 341.499 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 9.48 | -45.9 | 3 | 4 | 1 | 49 | 342.507 | 5 | ↓ |
