| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 32 | No |
None
None
| 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) | 3.46 | 5.12 | -10.73 | 1 | 7 | 0 | 81 | 449.45 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.46 | 6.52 | -41.24 | 0 | 7 | -1 | 84 | 448.442 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 6.92 | -44.45 | 2 | 7 | 1 | 83 | 450.458 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.46 | 7.59 | -29.6 | 1 | 7 | 0 | 85 | 449.45 | 11 | ↓ |
