| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 30 | 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) | 3.41 | 6.23 | -59.33 | 3 | 8 | -1 | 119 | 423.474 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.25 | -115.2 | 2 | 8 | -2 | 122 | 422.466 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.95 | 8.05 | -19.7 | 4 | 8 | 0 | 116 | 424.482 | 5 | ↓ |
