| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 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) | 1.39 | 4.33 | -7.17 | 1 | 3 | 0 | 38 | 163.224 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 4.5 | -31.09 | 2 | 3 | 1 | 39 | 164.232 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 4.5 | -27.65 | 2 | 3 | 1 | 39 | 164.232 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
