| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 28 | 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) | 2.21 | 4.62 | -14.44 | 3 | 8 | 0 | 112 | 398.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 5.35 | -54.89 | 2 | 8 | -1 | 115 | 397.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 3.97 | -24.98 | 3 | 8 | 0 | 116 | 398.444 | 7 | ↓ |
