| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 16 | 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) | 1.80 | 6.73 | -82.52 | 3 | 3 | 2 | 30 | 241.404 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 4.57 | -25.96 | 2 | 3 | 1 | 29 | 240.396 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 4.59 | -26.71 | 2 | 3 | 1 | 29 | 240.396 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
