| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2007 | 35 | 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) | 4.15 | 11.93 | -72.84 | 1 | 7 | 0 | 83 | 478.589 | 12 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 12.21 | -47.13 | 1 | 7 | 1 | 77 | 479.597 | 12 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 11.18 | -49.05 | 2 | 7 | 1 | 81 | 479.597 | 11 | ↓ |
