| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 31st, 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) | 4.17 | 11.59 | -116.07 | 0 | 4 | -2 | 80 | 358.478 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 3.93 | -23.25 | 2 | 4 | 0 | 74 | 360.494 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.17 | 10.29 | -50.56 | 1 | 4 | -1 | 77 | 359.486 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 11.53 | -49.39 | 0 | 4 | -1 | 74 | 359.486 | 3 | ↓ |
