| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 15 | Yes |
Popular Name: [(1-ethylpyrrolidin-2-yl)methyl](1,3-thiazol-5-ylmethyl)amine [(1-ethylpyrrolidin-2-yl)methyl]…
Find On: PubMed — Wikipedia — Google
CAS Number: 1343105-22-5
| 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) | 1.46 | 4.52 | -33.23 | 2 | 3 | 1 | 29 | 226.369 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 2.74 | -3.63 | 1 | 3 | 0 | 28 | 225.361 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.46 | 5.89 | -116.47 | 3 | 3 | 2 | 34 | 227.377 | 5 | ↓ |
| 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.
