| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 21 | Yes |
| 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) | 2.36 | 8.22 | -28.66 | 2 | 3 | 1 | 29 | 282.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 7.7 | -37.97 | 2 | 3 | 1 | 33 | 282.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 6.62 | -3.95 | 1 | 3 | 0 | 28 | 281.403 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 8.01 | -87.08 | 3 | 3 | 2 | 34 | 283.419 | 3 | ↓ |
