| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2009 | 32 | No |
| 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) | 2.98 | 4.85 | -10.92 | 1 | 8 | 0 | 91 | 441.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 5.42 | -42.07 | 0 | 8 | -1 | 93 | 440.472 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 7.14 | -44.97 | 2 | 8 | 1 | 92 | 442.488 | 6 | ↓ |
