| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2012 | 13 | Yes |
Popular Name: 1-{3-[(2-Hydroxy-ethyl)-methyl-amino]-pyrrolidin-1-yl}-ethanone 1-{3-[(2-Hydroxy-ethyl)-methyl-a…
Find On: PubMed — Wikipedia — Google
CAS Number: 1353974-52-3
| 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) | -0.78 | 1.37 | -41.2 | 2 | 4 | 1 | 45 | 187.263 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.78 | -0.96 | -11.19 | 1 | 4 | 0 | 44 | 186.255 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.