| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 33 | 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) | 3.03 | 8.56 | -64.15 | 0 | 7 | -1 | 92 | 443.479 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 10.97 | -11.71 | 0 | 7 | 0 | 86 | 444.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 8.92 | -27.11 | 1 | 7 | 0 | 89 | 444.487 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.45 | 11.25 | -44.07 | 1 | 7 | 1 | 87 | 445.495 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 9.2 | -56.63 | 2 | 7 | 1 | 90 | 445.495 | 6 | ↓ |
