| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2009 | 12 | Yes |
None
None
| 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) | -0.54 | 1.27 | -115.88 | 4 | 4 | 2 | 50 | 173.26 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | -1.05 | -37.73 | 3 | 4 | 1 | 49 | 172.252 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | -0.02 | -43.64 | 3 | 4 | 1 | 46 | 172.252 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | -2.33 | -9.3 | 2 | 4 | 0 | 44 | 171.244 | 2 | ↓ |
