| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 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) | 3.97 | 8.94 | -39.96 | 2 | 6 | 1 | 82 | 353.379 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.97 | 9.48 | -59.45 | 0 | 6 | -1 | 84 | 351.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.97 | 8.48 | -15.6 | 1 | 6 | 0 | 81 | 352.371 | 4 | ↓ |
