| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2009 | 33 | 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) | 3.54 | 10.28 | -74 | 3 | 6 | 2 | 54 | 471.715 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 13.3 | -114.37 | 3 | 6 | 2 | 54 | 471.715 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 9.94 | -47.78 | 2 | 6 | 1 | 53 | 470.707 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 10.9 | -48.2 | 2 | 6 | 1 | 53 | 470.707 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 12.64 | -161 | 4 | 6 | 3 | 55 | 472.723 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.54 | 10.43 | -84.42 | 3 | 6 | 2 | 54 | 471.715 | 7 | ↓ |
