| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2010 | 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) | 3.52 | 9.43 | -17.01 | 2 | 6 | 0 | 80 | 455.967 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 7.6 | -52.31 | 1 | 6 | -1 | 87 | 454.959 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 9.9 | -53.47 | 3 | 6 | 1 | 82 | 456.975 | 7 | ↓ |
