| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 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) | 1.62 | 5.69 | -57.64 | 3 | 8 | 0 | 115 | 416.474 | 13 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 6.52 | -85.04 | 2 | 8 | -1 | 117 | 415.466 | 13 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 5.14 | -49.25 | 2 | 8 | -1 | 113 | 415.466 | 13 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.74 | -44.33 | 3 | 8 | 0 | 115 | 416.474 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 1.62 | 8.51 | -82.2 | 4 | 8 | 1 | 116 | 417.482 | 13 | ↓ |
