| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 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) | 2.57 | 9.62 | -67.17 | 2 | 8 | 0 | 107 | 459.93 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 7.16 | -50.29 | 1 | 8 | -1 | 106 | 458.922 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 9.72 | -52.54 | 2 | 8 | 1 | 101 | 460.938 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 9.19 | -48.24 | 3 | 8 | 1 | 104 | 460.938 | 7 | ↓ |
