| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2006 | 29 | 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) | 2.91 | 2.68 | -15.79 | 4 | 7 | 0 | 110 | 413.861 | 5 | ↓ |
| Ref Reference (pH 7) | 2.91 | 2.04 | -13.3 | 4 | 7 | 0 | 110 | 413.861 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 2.42 | -52.16 | 2 | 7 | -1 | 109 | 412.853 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 2.35 | -48.55 | 2 | 7 | -1 | 109 | 412.853 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 2.86 | -37.09 | 3 | 7 | -1 | 113 | 412.853 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 2.8 | -49.13 | 3 | 7 | -1 | 113 | 412.853 | 5 | ↓ |
