| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 18 | No |
Popular Name: 1-(3-chloro-4-methoxy-phenyl)-4,4-dimethyl-5H-pyrimidin-1-ium-2-thiol 1-(3-chloro-4-methoxy-phenyl)-4,…
| 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) | 3.74 | 8.16 | -13.33 | 1 | 3 | 0 | 24 | 282.796 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.41 | -45.09 | 0 | 3 | -1 | 25 | 281.788 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
