| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 28 | 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) | 1.22 | 3.7 | -26.25 | 2 | 8 | 0 | 105 | 422.511 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 6.82 | -43.79 | 3 | 8 | 1 | 103 | 423.519 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 3.39 | -26.53 | 2 | 8 | 0 | 105 | 422.511 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 4.71 | -43.51 | 3 | 8 | 1 | 106 | 423.519 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 4.39 | -43.91 | 3 | 8 | 1 | 106 | 423.519 | 6 | ↓ |
