| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 27 | 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) | 3.86 | 9.34 | -32.98 | 4 | 5 | 1 | 57 | 366.533 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 8.89 | -9.82 | 3 | 5 | 0 | 56 | 365.525 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 10.48 | -110.09 | 5 | 5 | 2 | 62 | 367.541 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 10.01 | -49.31 | 4 | 5 | 1 | 61 | 366.533 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
