| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2005 | 31 | 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) | 4.15 | 7.22 | -18.93 | 3 | 7 | 0 | 94 | 417.465 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 7.98 | -68.51 | 2 | 7 | -1 | 97 | 416.457 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 7.68 | -62.36 | 2 | 7 | -1 | 97 | 416.457 | 5 | ↓ |
