| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 21 | 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) | 3.22 | 8.44 | -121.56 | 4 | 3 | 2 | 41 | 312.885 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 6.9 | -45.05 | 3 | 3 | 1 | 40 | 311.877 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 8.13 | -36.22 | 3 | 3 | 1 | 40 | 311.877 | 6 | ↓ |
