| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 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) | 2.01 | 2.75 | -18.89 | 3 | 9 | 0 | 117 | 439.468 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 3.3 | -65.17 | 1 | 9 | -1 | 116 | 438.46 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 3.11 | -52.84 | 1 | 9 | -1 | 116 | 438.46 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 3.66 | -44.98 | 2 | 9 | -1 | 120 | 438.46 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 3.52 | -58.79 | 2 | 9 | -1 | 120 | 438.46 | 8 | ↓ |
