| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 33 | 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) | 3.59 | 12.51 | -72.2 | 1 | 8 | -1 | 104 | 458.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 10.5 | -19.76 | 2 | 8 | 0 | 101 | 459.518 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 9.27 | -31.75 | 2 | 8 | 0 | 107 | 459.518 | 5 | ↓ |
