| 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) | 3.25 | 6.08 | -10.19 | 1 | 6 | 0 | 66 | 394.471 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 6.66 | -44.61 | 0 | 6 | -1 | 69 | 393.463 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 8.38 | -44.82 | 2 | 6 | 1 | 67 | 395.479 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 9.16 | -102.22 | 3 | 6 | 0 | 69 | 396.487 | 4 | ↓ |
