| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 30 | 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) | 2.36 | 11.07 | -116.73 | 3 | 6 | 0 | 93 | 419.472 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 9.07 | -70.32 | 4 | 6 | 1 | 90 | 420.48 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.38 | 7.97 | -97.94 | 4 | 6 | 1 | 96 | 420.48 | 3 | ↓ |
