In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 20 | Yes |
Popular Name: N-methyl-2-[(2S)-1-[2-(p-tolylsulfanyl)ethyl]-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-[2-(p-tolylsu…
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) | 3.80 | 8.89 | -39.09 | 2 | 2 | 1 | 20 | 293.5 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 10.57 | -104.95 | 3 | 2 | 2 | 21 | 294.508 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.