| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2007 | 30 | Yes |
| 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) | 3.76 | 5.59 | -17.04 | 3 | 7 | 0 | 99 | 425.872 | 5 | ↓ |
| Ref Reference (pH 7) | 3.76 | 5.36 | -12.06 | 3 | 7 | 0 | 99 | 425.872 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 5.12 | -54.03 | 1 | 7 | -1 | 98 | 424.864 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 5.25 | -47.23 | 1 | 7 | -1 | 98 | 424.864 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.76 | 6.35 | -41.47 | 2 | 7 | -1 | 102 | 424.864 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 6.12 | -47.75 | 2 | 7 | -1 | 102 | 424.864 | 5 | ↓ |
