In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2012 | 15 | Yes |
Popular Name: 1-(2-{[(2-Hydroxy-ethyl)-methyl-amino]-methyl}-piperidin-1-yl)-ethanone 1-(2-{[(2-Hydroxy-ethyl)-methyl-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1353966-68-3
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) | 0.00 | 3 | -29.55 | 2 | 4 | 1 | 45 | 215.317 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 1.01 | -9.04 | 1 | 4 | 0 | 44 | 214.309 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.