| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2007 | 29 | 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) | 3.39 | 5.89 | -11.7 | 1 | 8 | 0 | 94 | 452.685 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.09 | 5.03 | -125.92 | 1 | 8 | -2 | 111 | 450.669 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 3.51 | -15.47 | 3 | 8 | 0 | 105 | 452.685 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.09 | 4.26 | -48.51 | 2 | 8 | -1 | 108 | 451.677 | 4 | ↓ |
