| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2010 | 27 | Yes |
| 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) | 3.08 | 9.3 | -43.47 | 1 | 5 | 1 | 37 | 453.426 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 7.03 | -11.55 | 0 | 5 | 0 | 36 | 452.418 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 11.52 | -105.6 | 2 | 5 | 2 | 38 | 454.434 | 7 | ↓ |
