| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 32 | Yes |
| 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) | 2.36 | 4.79 | -18.66 | 2 | 9 | 0 | 106 | 439.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.15 | -51.67 | 0 | 9 | -1 | 105 | 438.46 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 5.29 | -60.68 | 0 | 9 | -1 | 105 | 438.46 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 5.65 | -44.01 | 1 | 9 | -1 | 109 | 438.46 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 5.55 | -58.28 | 1 | 9 | -1 | 109 | 438.46 | 8 | ↓ |
