| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2010 | 25 | 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) | 2.53 | 0.29 | -14.23 | 4 | 7 | 0 | 126 | 375.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | -0.46 | -98.48 | 2 | 7 | -2 | 132 | 373.415 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | -1.23 | -45.7 | 3 | 7 | -1 | 129 | 374.423 | 3 | ↓ |
