| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 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) | 4.52 | 10.4 | -53.75 | 0 | 5 | -1 | 74 | 471.714 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 10.36 | -10.25 | 1 | 5 | 0 | 71 | 472.722 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | -0.1 | -10.15 | 0 | 5 | 0 | 67 | 472.722 | 5 | ↓ |
