| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2006 | 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) | 3.73 | 8.82 | -7.87 | 2 | 6 | 0 | 110 | 423.52 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.82 | 10.14 | -104.97 | 3 | 6 | 2 | 111 | 425.536 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 8.65 | -44.72 | 3 | 6 | 1 | 111 | 424.528 | 3 | ↓ |
