| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 17 | No |
Popular Name: 1-(2,3-dimethylphenyl)-4,4-dimethyl-5H-pyrimidin-1-ium-2-thiol 1-(2,3-dimethylphenyl)-4,4-dimet…
| 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) | 3.88 | 9.58 | -12.18 | 1 | 2 | 0 | 15 | 246.379 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 8.88 | -45.03 | 0 | 2 | -1 | 16 | 245.371 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
