| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2007 | 37 | 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) | 4.34 | 10.94 | -52.44 | 0 | 8 | -1 | 101 | 517.514 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.78 | 9.07 | -28.19 | 1 | 8 | 0 | 98 | 518.522 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 10.09 | -19.42 | 0 | 8 | 0 | 95 | 518.522 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 4.17 | -17.31 | 1 | 6 | 0 | 67 | 358.467 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 6.53 | -47.44 | 2 | 6 | 1 | 69 | 359.475 | 4 | ↓ |
