| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 12 | 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) | 0.40 | 3.11 | -37.77 | 4 | 3 | 1 | 56 | 164.232 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.40 | 1.8 | -4.09 | 3 | 3 | 0 | 51 | 163.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.40 | 3.58 | -93.45 | 5 | 3 | 2 | 57 | 165.24 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
