| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2007 | 32 | 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) | 3.16 | 11.46 | -74.33 | 1 | 7 | 0 | 82 | 452.942 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 12 | -45.99 | 2 | 7 | 1 | 79 | 453.95 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 11.85 | -54.07 | 1 | 7 | 1 | 76 | 453.95 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 12.41 | -87.55 | 3 | 7 | 2 | 81 | 454.958 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 12.27 | -84.29 | 2 | 7 | 2 | 77 | 454.958 | 7 | ↓ |
