| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 29 | 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) | 3.12 | 6.02 | -44.65 | 3 | 6 | 1 | 66 | 433.882 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.12 | 5.95 | -47.88 | 3 | 6 | 1 | 66 | 433.882 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | 3.82 | -18.02 | 2 | 6 | 0 | 65 | 432.874 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 8.2 | -125.43 | 4 | 6 | 2 | 67 | 434.89 | 8 | ↓ |
