| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2009 | 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) | 3.35 | 5.79 | -41.91 | 3 | 6 | 1 | 78 | 474.375 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.08 | -43.23 | 1 | 6 | -1 | 80 | 472.359 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 3.52 | -8.83 | 2 | 6 | 0 | 77 | 473.367 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 6.36 | -28.88 | 2 | 6 | 0 | 81 | 473.367 | 5 | ↓ |
