In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 20 | Yes |
Popular Name: 1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]piperidin-4-amine 1-[2-[3-(trifluoromethyl)phenyl]…
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) | 2.54 | 5.61 | -46.69 | 3 | 2 | 1 | 31 | 305.389 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.54 | 7.85 | -117.46 | 4 | 2 | 2 | 32 | 306.397 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.