| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | No |
None
None
| 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) | 4.11 | 9.37 | -43.17 | 2 | 5 | 1 | 58 | 393.507 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 7.57 | -42.61 | 0 | 5 | -1 | 60 | 391.491 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 7.01 | -8 | 1 | 5 | 0 | 57 | 392.499 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.11 | 9.95 | -47.25 | 1 | 5 | 0 | 61 | 392.499 | 4 | ↓ |
