| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 31 | 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) | 3.42 | 9.65 | -48.55 | 2 | 6 | 1 | 63 | 418.517 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 7.86 | -45.78 | 0 | 6 | -1 | 65 | 416.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 7.28 | -11.12 | 1 | 6 | 0 | 62 | 417.509 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 10.23 | -52.64 | 1 | 6 | 0 | 66 | 417.509 | 3 | ↓ |
