| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 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) | 2.63 | 7.78 | -84.23 | 2 | 7 | 0 | 94 | 424.497 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 0.04 | -46.43 | 3 | 7 | 1 | 91 | 425.505 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | -0.38 | -48.32 | 2 | 7 | 1 | 88 | 425.505 | 8 | ↓ |
