| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 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) | 1.53 | 5.79 | -45.9 | 4 | 9 | 1 | 110 | 428.513 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 5.33 | -17.44 | 3 | 9 | 0 | 109 | 427.505 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 5.3 | -17.72 | 3 | 9 | 0 | 109 | 427.505 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 6.45 | -60.2 | 4 | 9 | 1 | 113 | 428.513 | 5 | ↓ |
