| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 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) | 2.31 | 7.12 | -56.65 | 0 | 7 | -1 | 86 | 474.99 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 9.38 | -45.82 | 2 | 7 | 1 | 84 | 477.006 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 9.45 | -75.42 | 1 | 7 | 0 | 87 | 475.998 | 7 | ↓ |