| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 31 | 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) | 3.12 | 6.8 | -10.77 | 2 | 7 | 0 | 119 | 417.513 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.21 | 2.8 | -119.44 | 3 | 7 | 2 | 119 | 419.529 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 6.63 | -51.28 | 3 | 7 | 1 | 121 | 418.521 | 5 | ↓ |
