| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 18 | Yes |
Popular Name: N,N-dimethyl-2-[4-[(3S,6S)-6-methyl-3-piperidyl]piperazin-1-yl]ethanamine N,N-dimethyl-2-[4-[(3S,6S)-6-met…
| 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) | 0.77 | 3.29 | -79.61 | 3 | 4 | 2 | 28 | 256.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 2 | -33.97 | 2 | 4 | 1 | 23 | 255.43 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.77 | 0.8 | -36.69 | 2 | 4 | 1 | 26 | 255.43 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.77 | 5.5 | -171.13 | 4 | 4 | 3 | 29 | 257.446 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.77 | 4.22 | -85.45 | 3 | 4 | 2 | 24 | 256.438 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
