| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 27 | 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) | 2.46 | 4.81 | -43.04 | 1 | 7 | -1 | 102 | 418.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 5.56 | -49.19 | 1 | 7 | -1 | 102 | 418.501 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 6.65 | -20.25 | 1 | 7 | 0 | 96 | 419.509 | 3 | ↓ |
