| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 16 | Yes |
Popular Name: propan-2-yl 2-[4-(aminomethyl)-3,5-dimethyl-1H-pyrazol-1-yl]acetate propan-2-yl 2-[4-(aminomethyl)-3…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1251080-29-1 , 1427379-63-2
| 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) | 0.54 | 3.95 | -48.52 | 3 | 5 | 1 | 72 | 226.3 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 3.55 | -11.29 | 2 | 5 | 0 | 70 | 225.292 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
