| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 36 | No |
| 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) | 4.86 | 10.86 | -17.55 | 3 | 12 | 0 | 182 | 507.846 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.93 | 10.21 | -116.14 | 1 | 12 | -2 | 192 | 505.83 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.86 | 11.86 | -47.97 | 2 | 12 | -1 | 185 | 506.838 | 6 | ↓ |
