In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 27 | Yes |
Popular Name: 1-(2-ethyl-1-piperidyl)-2-(methylBLAHyl)sulfanyl-ethanone 1-(2-ethyl-1-piperidyl)-2-(methy…
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) | 3.87 | -1.22 | -10.51 | 0 | 5 | 0 | 51 | 386.517 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.87 | -1.07 | -33.02 | 1 | 5 | 1 | 52 | 387.525 | 4 | ↓ |