| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 31 | 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) | 2.57 | 8.95 | -68.66 | 1 | 7 | 0 | 83 | 442.537 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 6.71 | -60.08 | 0 | 7 | -1 | 82 | 441.529 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 7.86 | -54.51 | 2 | 7 | 1 | 81 | 443.545 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 8.85 | -57.77 | 1 | 7 | 1 | 77 | 443.545 | 8 | ↓ |
