| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2005 | 26 | 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) | 6.66 | 13.15 | -6.64 | 1 | 3 | 0 | 29 | 418.354 | 5 | ↓ |
| Mid Mid (pH 6-8) | 6.66 | 13.11 | -30.85 | 2 | 3 | 1 | 34 | 419.362 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.66 | 13.61 | -26.69 | 2 | 3 | 1 | 31 | 419.362 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 6.66 | 13.58 | -91.14 | 3 | 3 | 2 | 35 | 420.37 | 5 | ↓ |
