| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2010 | 32 | 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) | 3.71 | 10.15 | -15.3 | 2 | 6 | 0 | 80 | 449.576 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.90 | 8.29 | -51.86 | 1 | 6 | -1 | 87 | 448.568 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 10.62 | -50.93 | 3 | 6 | 1 | 82 | 450.584 | 7 | ↓ |
