| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2009 | 29 | 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) | 3.05 | 2.4 | -43.11 | 1 | 8 | -1 | 114 | 507.26 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 3.33 | -90.7 | 0 | 8 | -2 | 117 | 506.252 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 5.07 | -10.26 | 2 | 8 | 0 | 111 | 508.268 | 5 | ↓ |
