| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2010 | 49 | 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) | 7.68 | 22.03 | -219.12 | 4 | 5 | 3 | 32 | 665.047 | 15 | ↓ |
| Hi High (pH 8-9.5) | 7.68 | 18.47 | -43.42 | 2 | 5 | 1 | 26 | 663.031 | 15 | ↓ |
| Mid Mid (pH 6-8) | 7.68 | 19.86 | -112.91 | 3 | 5 | 2 | 31 | 664.039 | 15 | ↓ |
