| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 30 | 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) | 3.62 | 2.12 | -43.4 | 2 | 5 | 1 | 62 | 411.497 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.07 | 1.67 | -52.28 | 2 | 5 | 1 | 62 | 411.497 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 2.08 | -50.82 | 1 | 5 | 1 | 58 | 411.497 | 7 | ↓ |
