| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 34 | 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) | 3.79 | 12.09 | -73.34 | 1 | 7 | 0 | 87 | 465.594 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.79 | 9.86 | -60.05 | 0 | 7 | -1 | 86 | 464.586 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 0.75 | -44.01 | 1 | 7 | 1 | 81 | 466.602 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 4.24 | 1.25 | -117.11 | 3 | 7 | 2 | 85 | 467.61 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 0.87 | -109.53 | 2 | 7 | 2 | 82 | 467.61 | 12 | ↓ |
