In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2010 | 18 | Yes |
Popular Name: [1-[2-(p-tolylsulfanyl)ethyl]-4-piperidyl]methanamine [1-[2-(p-tolylsulfanyl)ethyl]-4-…
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) | 2.43 | 8.26 | -105.26 | 4 | 2 | 2 | 32 | 266.454 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 6.03 | -45.65 | 3 | 2 | 1 | 31 | 265.446 | 5 | ↓ |