| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 27 | 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) | 3.04 | 10.73 | -9.69 | 2 | 7 | 0 | 85 | 401.257 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 10.14 | -38.37 | 1 | 7 | -1 | 86 | 400.249 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | -1.3 | -43.8 | 3 | 7 | 1 | 85 | 402.265 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.22 | 10.8 | -59.07 | 3 | 7 | 1 | 89 | 402.265 | 3 | ↓ |
