| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 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) | 3.15 | 9.33 | -84.9 | 1 | 8 | 0 | 93 | 468.55 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 8.9 | -49.05 | 1 | 8 | 1 | 87 | 469.558 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 8.45 | -47.65 | 2 | 8 | 1 | 90 | 469.558 | 10 | ↓ |
