| 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) | 4.48 | 8.63 | -37.41 | 2 | 5 | 1 | 58 | 434.343 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 7.13 | -42.11 | 0 | 5 | -1 | 60 | 432.327 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 6.37 | -8.38 | 1 | 5 | 0 | 57 | 433.335 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 9.4 | -46.36 | 1 | 5 | 0 | 61 | 433.335 | 4 | ↓ |
