In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 21 | Yes |
Popular Name: 1-[4-[[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]methyl]-1-piperidyl]ethanone 1-[4-[[(3R)-4-(2-methoxyethyl)-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) | 0.71 | 5.71 | -44.48 | 1 | 5 | 1 | 37 | 298.451 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 3.75 | -8.29 | 0 | 5 | 0 | 36 | 297.443 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.