| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2008 | 29 | 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) | 1.52 | 7.77 | -79.4 | 1 | 7 | 0 | 87 | 415.515 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.25 | -61.05 | 0 | 7 | -1 | 86 | 414.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.94 | 9.24 | -57.18 | 1 | 7 | 1 | 81 | 416.523 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 8.56 | -47.19 | 2 | 7 | 1 | 84 | 416.523 | 7 | ↓ |
