| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 28 | 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) | 2.46 | 4.12 | -22.33 | 2 | 7 | 0 | 75 | 401.536 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 5.12 | -42.34 | 3 | 7 | 1 | 76 | 402.544 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 7.43 | -60.56 | 3 | 7 | 1 | 73 | 402.544 | 7 | ↓ |
