| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 29 | Yes |
None
| 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) | 3.27 | 11.98 | -15.67 | 0 | 4 | 0 | 68 | 396.527 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 12.37 | -114.82 | 0 | 4 | -2 | 80 | 394.511 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.44 | 11.06 | -56.43 | 1 | 4 | -1 | 77 | 395.519 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 12.12 | -40.46 | 0 | 4 | -1 | 74 | 395.519 | 3 | ↓ |
