| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 33 | 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) | 3.81 | 12.94 | -116.74 | 2 | 6 | 2 | 46 | 456.627 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.81 | 10.15 | -11.35 | 0 | 6 | 0 | 43 | 454.611 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 12.16 | -42.92 | 1 | 6 | 1 | 45 | 455.619 | 8 | ↓ |
