| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 31 | No |
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) | 3.24 | 7.38 | -28.33 | 1 | 7 | 0 | 79 | 424.497 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.04 | -45.94 | 0 | 7 | -1 | 78 | 423.489 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.56 | -45.82 | 2 | 7 | 1 | 77 | 425.505 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 7.36 | -48.38 | 1 | 7 | 0 | 79 | 424.497 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 4.25 | -15.59 | 1 | 7 | 0 | 75 | 424.497 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 6.58 | -41.31 | 2 | 7 | 1 | 77 | 425.505 | 6 | ↓ |
