| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | No |
Popular Name: 1-(4-Chloro-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole 1-(4-Chloro-benzyl)-4-isothiocya…
Find On: PubMed — Wikipedia — Google
CAS Number: 1004193-65-0
| 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) | 4.40 | 0.84 | -7.78 | 0 | 3 | 0 | 30 | 277.78 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.