| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 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) | 3.35 | 7.4 | -27.3 | 1 | 7 | 0 | 79 | 487.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 7.61 | -47.9 | 1 | 7 | 0 | 79 | 487.35 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 5 | -43.66 | 0 | 7 | -1 | 78 | 486.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 6.67 | -43.1 | 2 | 7 | 1 | 77 | 488.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 4.67 | -9.71 | 1 | 7 | 0 | 75 | 487.35 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 6.6 | -43.02 | 2 | 7 | 1 | 77 | 488.358 | 3 | ↓ |
