| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 31 | 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) | 3.99 | 10.79 | -53.2 | 0 | 7 | -1 | 96 | 437.859 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 1.71 | -14.74 | 0 | 7 | 0 | 89 | 438.867 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 9.97 | -13.56 | 1 | 7 | 0 | 93 | 438.867 | 6 | ↓ |
