| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 30 | 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) | 3.17 | 7.42 | -50.01 | 2 | 5 | 1 | 46 | 413.513 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 7.32 | -38.52 | 2 | 5 | 1 | 46 | 413.513 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 5.01 | -12.56 | 1 | 5 | 0 | 45 | 412.505 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
