| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2007 | 28 | 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) | 3.84 | 7.55 | -56.1 | 1 | 5 | -1 | 81 | 419.284 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 6.36 | -24.01 | 2 | 5 | 0 | 78 | 420.292 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 7.39 | -15.36 | 1 | 5 | 0 | 75 | 420.292 | 5 | ↓ |
