| 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) | 3.71 | 8.41 | -40.88 | 2 | 5 | 1 | 58 | 397.47 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.91 | -40.19 | 0 | 5 | -1 | 60 | 395.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 6.14 | -7.02 | 1 | 5 | 0 | 57 | 396.462 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 9.18 | -49.17 | 1 | 5 | 0 | 61 | 396.462 | 4 | ↓ |
