| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 20 | 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) | 3.31 | 7.15 | -12.79 | 1 | 4 | 0 | 55 | 266.3 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 7.47 | -58.01 | 0 | 4 | -1 | 57 | 265.292 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 8.29 | -64.88 | 0 | 4 | -1 | 57 | 265.292 | 2 | ↓ |
