| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 49 | 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) | 8.31 | 21.56 | -183.24 | 4 | 5 | 3 | 38 | 671.353 | 18 | ↓ |
| Hi High (pH 8-9.5) | 8.31 | 20.45 | -52.77 | 2 | 5 | 1 | 36 | 669.337 | 18 | ↓ |
| Hi High (pH 8-9.5) | 8.31 | 17.86 | -8.71 | 1 | 5 | 0 | 35 | 668.329 | 18 | ↓ |
| Hi High (pH 8-9.5) | 8.31 | 18.76 | -34.64 | 2 | 5 | 1 | 36 | 669.337 | 18 | ↓ |
| Mid Mid (pH 6-8) | 8.31 | 20.31 | -104.47 | 3 | 5 | 2 | 37 | 670.345 | 18 | ↓ |
