| 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) | 3.02 | 7.8 | -29.86 | 1 | 7 | 0 | 79 | 424.497 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 5.46 | -43.14 | 0 | 7 | -1 | 78 | 423.489 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 7.87 | -50.16 | 1 | 7 | 0 | 79 | 424.497 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.29 | -50.52 | 2 | 7 | 1 | 77 | 425.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.18 | -55.56 | 2 | 7 | 1 | 77 | 425.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 4.93 | -10.47 | 1 | 7 | 0 | 75 | 424.497 | 5 | ↓ |
