| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 27 | Yes |
| 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) | 2.57 | 11.16 | -14.48 | 0 | 4 | 0 | 68 | 388.529 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 12.19 | -121.11 | 0 | 4 | -2 | 80 | 386.513 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 10.72 | -40.05 | 1 | 4 | -1 | 77 | 387.521 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 11.05 | -39.53 | 0 | 4 | -1 | 74 | 387.521 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 10.92 | -39.96 | 1 | 4 | -1 | 77 | 387.521 | 3 | ↓ |
