| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 32 | 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) | 0.66 | 3.16 | -109.89 | 6 | 8 | 2 | 118 | 440.544 | 14 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 1.86 | -62.19 | 5 | 8 | 1 | 113 | 439.536 | 14 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 1.92 | -61.49 | 5 | 8 | 1 | 113 | 439.536 | 14 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | 0.31 | -15.75 | 4 | 8 | 0 | 109 | 438.528 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 3.82 | -180.39 | 7 | 8 | 3 | 119 | 441.552 | 14 | ↓ |
| Lo Low (pH 4.5-6) | 0.66 | 3.8 | -178.87 | 7 | 8 | 3 | 119 | 441.552 | 14 | ↓ |
