| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 31 | 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) | 2.79 | 3.75 | -15.22 | 3 | 8 | 0 | 108 | 443.887 | 6 | ↓ |
| Ref Reference (pH 7) | 2.79 | 3.81 | -12.24 | 3 | 8 | 0 | 108 | 443.887 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 3.76 | -52.12 | 1 | 8 | -1 | 107 | 442.879 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 3.41 | -56.77 | 1 | 8 | -1 | 107 | 442.879 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 4.47 | -42.44 | 2 | 8 | -1 | 111 | 442.879 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 4.58 | -50.18 | 2 | 8 | -1 | 111 | 442.879 | 6 | ↓ |
