| 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) | 3.49 | 9.62 | -55.1 | 0 | 5 | -1 | 73 | 466.286 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | -0.42 | -11.78 | 0 | 5 | 0 | 67 | 467.294 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | -0.17 | -43.37 | 2 | 5 | 1 | 71 | 468.302 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | -0.31 | -44.88 | 1 | 5 | 1 | 68 | 468.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 8.8 | -15.06 | 1 | 5 | 0 | 71 | 467.294 | 5 | ↓ |
