| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 24th, 2010 | 26 | 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) | 3.25 | 3.42 | -52.14 | 2 | 6 | -1 | 99 | 482.104 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 4.34 | -108.56 | 1 | 6 | -2 | 102 | 481.096 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 2.66 | -15.12 | 3 | 6 | 0 | 96 | 483.112 | 4 | ↓ |
