| 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 | 9.58 | -56.33 | 0 | 5 | -1 | 73 | 466.286 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 9.32 | -11.86 | 1 | 5 | 0 | 71 | 467.294 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 9.69 | -14.4 | 0 | 5 | 0 | 67 | 467.294 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 9.98 | -39.46 | 1 | 5 | 1 | 69 | 468.302 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | 9.62 | -36.65 | 2 | 5 | 1 | 72 | 468.302 | 5 | ↓ |
