| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 33 | 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) | 2.34 | 3.97 | -63.48 | 1 | 8 | -1 | 102 | 455.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.01 | -132.28 | 0 | 8 | -2 | 105 | 454.454 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 6.3 | -72.85 | 2 | 8 | 0 | 104 | 456.47 | 7 | ↓ |
