| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 29 | 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) | 3.26 | 10.12 | -64.05 | 0 | 5 | -1 | 73 | 403.483 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | -0.5 | -11.2 | 1 | 5 | 0 | 70 | 404.491 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | -0.64 | -20.57 | 0 | 5 | 0 | 67 | 404.491 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.26 | -0.39 | -40.58 | 2 | 5 | 1 | 71 | 405.499 | 5 | ↓ |
