| 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) | 3.44 | 4.56 | -12.22 | 3 | 7 | 0 | 99 | 427.888 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 4.39 | -53.93 | 1 | 7 | -1 | 98 | 426.88 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 4.36 | -50.16 | 1 | 7 | -1 | 98 | 426.88 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.35 | -47.4 | 2 | 7 | -1 | 102 | 426.88 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 5.32 | -49.77 | 2 | 7 | -1 | 102 | 426.88 | 6 | ↓ |
