| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 33 | Yes |
| 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) | 3.16 | 4.86 | -17.62 | 3 | 8 | 0 | 112 | 507.344 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 4.93 | -48.07 | 1 | 8 | -1 | 110 | 506.336 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 5.63 | -55.21 | 2 | 8 | -1 | 114 | 506.336 | 5 | ↓ |
