| 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) | 3.33 | 10.22 | -79.59 | 2 | 7 | 0 | 94 | 446.503 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 8.53 | -138.79 | 0 | 7 | -2 | 96 | 444.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 11.07 | -138.93 | 1 | 7 | -1 | 97 | 445.495 | 7 | ↓ |
