| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2012 | 13 | Yes |
Popular Name: 1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole 1,3,5-trimethyl-4-(pyrrolidin-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1354953-49-3
| 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) | 0.90 | 3.94 | -40.16 | 2 | 3 | 1 | 34 | 180.275 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.90 | 4.07 | -89.22 | 3 | 3 | 2 | 36 | 181.283 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
