| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 28 | 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) | 1.54 | 4.62 | -56.52 | 3 | 7 | 1 | 83 | 407.56 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 2.29 | -13.9 | 2 | 7 | 0 | 82 | 406.552 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 1.95 | -49.06 | 2 | 7 | 0 | 86 | 406.552 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.54 | 6.9 | -125.6 | 4 | 7 | 2 | 84 | 408.568 | 6 | ↓ |
