| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 33 | 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) | 3.38 | 8.77 | -54.96 | 1 | 7 | 1 | 66 | 451.543 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 5.79 | -11.34 | 0 | 7 | 0 | 64 | 450.535 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 8.25 | -48.51 | 1 | 7 | 1 | 66 | 451.543 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.38 | 11.12 | -127.19 | 2 | 7 | 2 | 67 | 452.551 | 6 | ↓ |
