In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2011 | 21 | Yes |
Popular Name: N,N-dimethyl-2-[4-[[(3R)-3-propyl-3-piperidyl]methyl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[[(3R)-3-propy…
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) | 1.61 | 7.31 | -175.52 | 4 | 4 | 3 | 29 | 299.527 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.61 | 3.01 | -37.84 | 2 | 4 | 1 | 26 | 297.511 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.61 | 5.49 | -80.69 | 3 | 4 | 2 | 28 | 298.519 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.