| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 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) | 4.31 | 10.16 | -59.05 | 0 | 8 | -1 | 101 | 501.54 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 10.37 | -14.06 | 0 | 8 | 0 | 95 | 502.548 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 9.97 | -17.23 | 1 | 8 | 0 | 98 | 502.548 | 7 | ↓ |
