| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 29 | No |
| 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) | 3.03 | 3.58 | -20.84 | 5 | 8 | 0 | 115 | 412.471 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 4.32 | -54.89 | 4 | 8 | -1 | 120 | 411.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 2.43 | -47.1 | 4 | 8 | -1 | 122 | 411.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 4.35 | -60 | 4 | 8 | -1 | 118 | 411.463 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 3.84 | -52.88 | 6 | 8 | 1 | 117 | 413.479 | 5 | ↓ |
