| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2004 | 28 | 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) | 3.17 | 4.67 | -9.36 | 1 | 6 | 0 | 72 | 403.5 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 6.94 | -42.17 | 0 | 6 | -1 | 75 | 402.492 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 7.66 | -34.29 | 1 | 6 | 0 | 76 | 403.5 | 9 | ↓ |
