| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 30 | 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) | 1.64 | 5.67 | -54.22 | 0 | 7 | -1 | 86 | 426.88 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.06 | -1.98 | -49.85 | 1 | 7 | 1 | 81 | 428.896 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 8.01 | -73.22 | 1 | 7 | 0 | 87 | 427.888 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | -1.87 | -116.37 | 2 | 7 | 2 | 82 | 429.904 | 6 | ↓ |
