| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 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) | 3.15 | 7.66 | -13.92 | 2 | 8 | 0 | 101 | 440.525 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.15 | 6.66 | -52.15 | 1 | 8 | -1 | 103 | 439.517 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 7.85 | -43.82 | 3 | 8 | 1 | 103 | 441.533 | 8 | ↓ |
