In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 20 | Yes |
Popular Name: (3S)-3-methyl-1-[2-(p-tolylsulfanyl)ethyl]piperidine-3-carboxylic (3S)-3-methyl-1-[2-(p-tolylsulfa…
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) | 3.11 | 11.24 | -52.26 | 1 | 3 | 0 | 45 | 293.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 9.37 | -47.22 | 0 | 3 | -1 | 43 | 292.424 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.