| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 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) | 3.08 | 4.8 | -47.21 | 1 | 8 | -1 | 114 | 443.435 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.72 | -102.47 | 0 | 8 | -2 | 117 | 442.427 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 7.46 | -13.25 | 2 | 8 | 0 | 111 | 444.443 | 6 | ↓ |
