| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2008 | 31 | 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) | 0.85 | 6.72 | -65.56 | 1 | 7 | -1 | 96 | 454.553 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 8.22 | -41.67 | 2 | 7 | -1 | 91 | 454.553 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.24 | -17.95 | 2 | 7 | 0 | 85 | 455.561 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | 6.73 | -22.93 | 1 | 7 | 0 | 88 | 455.561 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 6.76 | -26.84 | 1 | 7 | 0 | 96 | 455.561 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 6.57 | -62.53 | 0 | 7 | -1 | 95 | 454.553 | 4 | ↓ |
