| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2007 | 32 | 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) | 3.67 | 11.19 | -47.39 | 0 | 8 | -1 | 119 | 452.443 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.09 | 0.91 | -16.29 | 0 | 8 | 0 | 113 | 453.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 10.39 | -24.13 | 1 | 8 | 0 | 116 | 453.451 | 4 | ↓ |
