| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 32 | 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) | 2.81 | 7.81 | -77.21 | 2 | 7 | 0 | 94 | 442.487 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.6 | -60.18 | 1 | 7 | -1 | 93 | 441.479 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 6.72 | -62.79 | 3 | 7 | 1 | 92 | 443.495 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.75 | -67.54 | 2 | 7 | 1 | 88 | 443.495 | 9 | ↓ |
