In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2011 | 20 | Yes |
Popular Name: 2-[1-[2-(4-fluorophenyl)sulfanylethyl]-4-piperidyl]-N-methyl-ethanamine 2-[1-[2-(4-fluorophenyl)sulfanyl…
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) | 3.58 | 10.15 | -97.9 | 3 | 2 | 2 | 21 | 298.471 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 7.91 | -40.35 | 2 | 2 | 1 | 20 | 297.463 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.