| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 33 | 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) | 2.26 | 8.34 | -43.37 | 4 | 8 | 1 | 101 | 493.053 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 7.88 | -15.79 | 3 | 8 | 0 | 99 | 492.045 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.26 | 7.85 | -15.56 | 3 | 8 | 0 | 99 | 492.045 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 9.02 | -56.08 | 4 | 8 | 1 | 104 | 493.053 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 9.48 | -117.99 | 5 | 8 | 2 | 105 | 494.061 | 8 | ↓ |
