| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 6th, 2006 | 29 | 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) | 0.00 | 1.63 | -52.43 | 4 | 8 | 1 | 117 | 398.439 | 9 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 2.31 | -62.03 | 3 | 8 | 1 | 113 | 398.439 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 1.59 | -128.25 | 5 | 8 | 2 | 118 | 399.447 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -0.58 | 2.61 | -128.52 | 4 | 8 | 2 | 115 | 399.447 | 9 | ↓ |
