| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 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) | 2.21 | 9.65 | -90.5 | 3 | 5 | 2 | 42 | 311.499 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 6.52 | -7.16 | 1 | 5 | 0 | 36 | 309.483 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 9.64 | -37.99 | 2 | 5 | 1 | 37 | 310.491 | 8 | ↓ |
