| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 30 | 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) | 3.03 | 10.23 | -70.33 | 1 | 6 | 0 | 78 | 427.57 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.03 | 7.7 | -58.31 | 0 | 6 | -1 | 77 | 426.562 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 10.48 | -45.27 | 2 | 6 | 1 | 75 | 428.578 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 10.8 | -47.96 | 1 | 6 | 1 | 72 | 428.578 | 7 | ↓ |
