| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 22 | 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) | 2.94 | 9.46 | -7.52 | 1 | 4 | 0 | 54 | 309.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 8.41 | -43.72 | 0 | 4 | -1 | 56 | 308.386 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 9.66 | -31.42 | 2 | 4 | 1 | 55 | 310.402 | 5 | ↓ |
