| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2010 | 15 | Yes |
Popular Name: 1-(3-aminopyrrolidin-1-yl)-2-phenylethan-1-one 1-(3-aminopyrrolidin-1-yl)-2-phe…
Find On: PubMed — Wikipedia — Google
CAS Number: 727720-00-5
| 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) | 0.46 | 3.96 | -53.13 | 3 | 3 | 1 | 48 | 205.281 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.65 | -9.96 | 2 | 3 | 0 | 46 | 204.273 | 2 | ↓ |
| 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.