| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 29 | 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) | 3.32 | 7.17 | -50.26 | 3 | 5 | 1 | 58 | 396.555 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 6.36 | -9.64 | 2 | 5 | 0 | 54 | 395.547 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.32 | 8.33 | -45.63 | 3 | 5 | 1 | 55 | 396.555 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | 9.57 | -126.27 | 4 | 5 | 2 | 59 | 397.563 | 8 | ↓ |
