| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 47 | 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) | 7.25 | 21.15 | -182.64 | 4 | 5 | 3 | 32 | 639.009 | 15 | ↓ |
| Hi High (pH 8-9.5) | 7.25 | 17.56 | -39.66 | 2 | 5 | 1 | 26 | 636.993 | 15 | ↓ |
| Mid Mid (pH 6-8) | 7.25 | 18.92 | -103.73 | 3 | 5 | 2 | 31 | 638.001 | 15 | ↓ |
