| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 38 | No |
None
| 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) | 3.24 | 6.06 | -109.41 | 1 | 10 | -2 | 150 | 560.629 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.74 | -214.73 | 0 | 10 | -3 | 152 | 559.621 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 6.15 | -26.97 | 1 | 10 | 0 | 144 | 561.637 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 5.56 | -26 | 1 | 10 | 0 | 144 | 561.637 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 5.91 | -54.17 | 2 | 10 | -1 | 148 | 561.637 | 7 | ↓ |
