| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 26 | 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) | 1.61 | 0.28 | -42.7 | 2 | 7 | -1 | 115 | 355.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 1.27 | -99.88 | 1 | 7 | -2 | 118 | 354.293 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 1.2 | -96.89 | 1 | 7 | -2 | 118 | 354.293 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 2.79 | -11.54 | 3 | 7 | 0 | 112 | 356.309 | 3 | ↓ |
