| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 12 | 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) | -1.72 | -3.29 | -52.65 | 4 | 5 | 1 | 83 | 173.192 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.72 | -4.56 | -11.3 | 3 | 5 | 0 | 78 | 172.184 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.72 | -4.57 | -9.44 | 3 | 5 | 0 | 78 | 172.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.53 | -5.76 | -42.45 | 3 | 5 | 0 | 89 | 172.184 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.53 | -5.76 | -42.47 | 3 | 5 | 0 | 89 | 172.184 | 4 | ↓ |
