| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 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) | 2.93 | 12.95 | -17.31 | 1 | 7 | 0 | 78 | 402.454 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 12.94 | -40.72 | 0 | 7 | -1 | 80 | 401.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 13.2 | -52.85 | 2 | 7 | 1 | 83 | 403.462 | 4 | ↓ |
