| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 26 | 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) | 1.64 | -0.21 | -14.75 | 5 | 7 | 0 | 114 | 378.812 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 0.8 | -56.57 | 4 | 7 | -1 | 117 | 377.804 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 1.21 | -64.05 | 6 | 7 | 1 | 119 | 379.82 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
