| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 34 | 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) | 3.41 | 9.58 | -42.81 | 4 | 7 | 1 | 91 | 523.455 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 9.11 | -15.56 | 3 | 7 | 0 | 90 | 522.447 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 9.08 | -14.77 | 3 | 7 | 0 | 90 | 522.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.41 | 10.72 | -121.07 | 5 | 7 | 2 | 96 | 524.463 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.41 | 10.25 | -58.16 | 4 | 7 | 1 | 95 | 523.455 | 5 | ↓ |
