In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 19 | Yes |
Popular Name: 2-[1-[2-(p-tolylsulfanyl)ethyl]-4-piperidyl]ethanamine 2-[1-[2-(p-tolylsulfanyl)ethyl]-…
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) | 2.88 | 8.88 | -98.57 | 4 | 2 | 2 | 32 | 280.481 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 6.64 | -44.83 | 3 | 2 | 1 | 31 | 279.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.