| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 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 | 7.24 | -28.23 | 1 | 7 | 0 | 79 | 424.497 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 4.88 | -46.98 | 0 | 7 | -1 | 78 | 423.489 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 6.99 | -53.88 | 1 | 7 | 0 | 79 | 424.497 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.91 | -48.48 | 2 | 7 | 1 | 77 | 425.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 6.78 | -45.68 | 2 | 7 | 1 | 77 | 425.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 3.87 | -10.54 | 1 | 7 | 0 | 75 | 424.497 | 5 | ↓ |
