| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 30 | 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) | 1.57 | 6.07 | -67.86 | 1 | 9 | -1 | 136 | 411.39 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | -1.84 | -29.86 | 2 | 9 | 0 | 132 | 412.398 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.73 | -32.33 | 2 | 6 | 1 | 69 | 345.448 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 5.26 | -12.65 | 1 | 6 | 0 | 67 | 344.44 | 3 | ↓ |
