| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 27 | 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) | 2.85 | 3.83 | -49.6 | 1 | 7 | -1 | 104 | 430.234 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.85 | 4.64 | -106.36 | 0 | 7 | -2 | 107 | 429.226 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 5.6 | -12.19 | 2 | 7 | 0 | 101 | 431.242 | 3 | ↓ |
