| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 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) | 4.50 | 11.1 | -44.46 | 1 | 5 | -1 | 81 | 426.492 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.95 | -0.95 | -24.89 | 2 | 5 | 0 | 77 | 427.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | -0.6 | -19.12 | 1 | 5 | 0 | 74 | 427.5 | 6 | ↓ |
