| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 14 | 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) | -0.32 | 4.69 | -11.31 | 0 | 3 | 0 | 47 | 189.214 | 1 | ↓ |
| Ref Reference (pH 7) | 0.43 | 4.49 | -41.93 | 0 | 3 | -1 | 53 | 188.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 4.49 | -41.92 | 0 | 3 | -1 | 53 | 188.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 2.78 | -10.96 | 1 | 3 | 0 | 50 | 189.214 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 2.77 | -10.96 | 1 | 3 | 0 | 50 | 189.214 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
