| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 15 | No |
None
| 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) | 1.37 | 5.85 | -44.57 | 4 | 4 | 1 | 54 | 227.357 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.36 | -16.78 | 3 | 4 | 0 | 53 | 226.349 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 5.45 | -23.54 | 3 | 4 | 0 | 55 | 226.349 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.41 | 5.45 | -74.63 | 4 | 4 | 2 | 56 | 228.365 | 7 | ↓ |
