| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 28 | 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) | 2.40 | 4.48 | -39.74 | 4 | 6 | 1 | 79 | 382.484 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4 | -53.28 | 3 | 6 | 0 | 85 | 381.476 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.40 | 4.79 | -73.13 | 2 | 6 | -1 | 88 | 380.468 | 3 | ↓ |
