| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 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) | 1.93 | 7.55 | -38.79 | 3 | 7 | -1 | 109 | 444.455 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 7.89 | -62.34 | 4 | 7 | 0 | 111 | 445.463 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 8.65 | -13.78 | 4 | 7 | 0 | 103 | 445.463 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 9 | -55.37 | 5 | 7 | 1 | 104 | 446.471 | 10 | ↓ |
