In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 29 | Yes |
Popular Name: [6-[2-(1-piperidyl)ethylsulfanyl]-3-pyridyl]-[4-(1-piperidyl)-1-piperidyl]methanone [6-[2-(1-piperidyl)ethylsulfanyl…
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) | 2.87 | 12.69 | -90.91 | 2 | 5 | 2 | 42 | 418.651 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 10.41 | -43.25 | 1 | 5 | 1 | 41 | 417.643 | 6 | ↓ |