| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2008 | 30 | 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) | 3.04 | 9.31 | -28.27 | 1 | 6 | 0 | 66 | 403.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 6.98 | -45.41 | 0 | 6 | -1 | 65 | 402.474 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 9.41 | -49.42 | 1 | 6 | 0 | 66 | 403.482 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 8.81 | -46.11 | 2 | 6 | 1 | 63 | 404.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 6.46 | -10.36 | 1 | 6 | 0 | 62 | 403.482 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.04 | 8.69 | -49.71 | 2 | 6 | 1 | 63 | 404.49 | 3 | ↓ |
