In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 20 | Yes |
Popular Name: (1S)-1-(2-thienyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (1S)-1-(2-thienyl)-N-[[4-(triflu…
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) | 4.32 | 7.75 | -44.81 | 2 | 2 | 1 | 26 | 302.341 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.32 | 6.43 | -3.54 | 1 | 2 | 0 | 21 | 301.333 | 6 | ↓ |