| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 34 | 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) | 3.24 | 13.5 | -20.88 | 2 | 8 | 0 | 81 | 494.694 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 13.86 | -126.27 | 0 | 8 | -2 | 82 | 492.678 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 13.69 | -55.74 | 1 | 8 | -1 | 81 | 493.686 | 8 | ↓ |
