| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 20 | No |
Popular Name: 1-(4-butoxyphenyl)-4,4-dimethyl-5H-pyrimidin-1-ium-2-thiol 1-(4-butoxyphenyl)-4,4-dimethyl-…
| 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) | 4.57 | 10.11 | -12.16 | 1 | 3 | 0 | 24 | 290.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.61 | 9.37 | -44 | 0 | 3 | -1 | 25 | 289.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
