In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2011 | 20 | Yes |
Popular Name: (3S)-1-[2-(2-fluorophenyl)sulfanylethyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[2-(2-fluorophenyl)sulfan…
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) | 2.78 | 10.64 | -56.22 | 1 | 3 | 0 | 45 | 297.395 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 8.78 | -49.68 | 0 | 3 | -1 | 43 | 296.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.