| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 36 | 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) | 3.94 | 11.41 | -62.38 | 0 | 7 | -1 | 92 | 481.528 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.39 | 9.46 | -27.37 | 1 | 7 | 0 | 89 | 482.536 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 10.42 | -24.84 | 0 | 7 | 0 | 86 | 482.536 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.39 | 9.76 | -55.53 | 2 | 7 | 1 | 90 | 483.544 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 10.72 | -56.31 | 1 | 7 | 1 | 87 | 483.544 | 11 | ↓ |
