| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 20 | 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) | 3.95 | 6.07 | -9.47 | 2 | 4 | 0 | 57 | 334.148 | 2 | ↓ |
| Ref Reference (pH 7) | 3.77 | 6.06 | -32.01 | 3 | 4 | 1 | 55 | 335.156 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 4.97 | -40.44 | 1 | 4 | -1 | 64 | 333.14 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.40 | 4.03 | -44.63 | 1 | 4 | -1 | 60 | 333.14 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.13 | 4.05 | -34.19 | 1 | 4 | -1 | 64 | 333.14 | 2 | ↓ |
