| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 31 | 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) | 2.46 | 12.56 | -202.92 | 5 | 7 | 3 | 70 | 422.601 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 8.16 | -21.61 | 3 | 7 | 1 | 67 | 420.585 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 10.11 | -30.84 | 3 | 7 | 1 | 67 | 420.585 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 10.31 | -122.2 | 4 | 7 | 2 | 69 | 421.593 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 10.2 | -112.7 | 4 | 7 | 2 | 69 | 421.593 | 5 | ↓ |
