| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 18th, 2006 | 28 | 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) | 3.37 | 12.98 | -11.24 | 0 | 4 | 0 | 68 | 382.5 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 9.96 | -39.33 | 1 | 4 | -1 | 77 | 381.492 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.73 | -116.71 | 0 | 4 | -2 | 80 | 380.484 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 10.06 | -39.58 | 1 | 4 | -1 | 77 | 381.492 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 11.65 | -40.61 | 0 | 4 | -1 | 74 | 381.492 | 3 | ↓ |
