| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 34 | 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) | 3.59 | 11.79 | -75.3 | 1 | 7 | 0 | 87 | 460.53 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 10.67 | -60.73 | 2 | 7 | 1 | 84 | 461.538 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 11.69 | -56.02 | 1 | 7 | 1 | 81 | 461.538 | 10 | ↓ |
