In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2011 | 19 | Yes |
Popular Name: N-methyl-1-[4-[3-(trifluoromethoxy)phenyl]-2-thienyl]methanamine N-methyl-1-[4-[3-(trifluorometho…
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) | 4.06 | 6.76 | -43.45 | 2 | 2 | 1 | 26 | 288.314 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.06 | 5.31 | -3.35 | 1 | 2 | 0 | 21 | 287.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.