| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2007 | 26 | 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 | 5.61 | -33.69 | 3 | 6 | 0 | 95 | 369.446 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.02 | 3.08 | -122.56 | 1 | 6 | -2 | 104 | 367.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 4.47 | -54.24 | 2 | 6 | -1 | 101 | 368.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 5.01 | -50.12 | 2 | 6 | -1 | 101 | 368.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.48 | 4.24 | -61.25 | 2 | 6 | -1 | 98 | 368.438 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 6.19 | -22.69 | 3 | 6 | 0 | 95 | 369.446 | 3 | ↓ |
