| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2008 | 32 | 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) | 3.91 | 10.66 | -68.91 | 1 | 7 | 0 | 87 | 440.54 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 8.35 | -58.4 | 0 | 7 | -1 | 86 | 439.532 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.36 | 9.56 | -55.4 | 2 | 7 | 1 | 84 | 441.548 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 10.56 | -54.34 | 1 | 7 | 1 | 81 | 441.548 | 12 | ↓ |
