| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2008 | 32 | 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) | 2.90 | 6.55 | -20.79 | 2 | 8 | 0 | 93 | 444.417 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.94 | -67.62 | 1 | 8 | -1 | 103 | 443.409 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 5.54 | -40.75 | 2 | 8 | 0 | 105 | 444.417 | 6 | ↓ |
