In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 21 | Yes |
Popular Name: (1S)-N,2-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-2-thienyl]propan-1-amine (1S)-N,2-dimethyl-1-[5-[4-(trifl…
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) | 5.52 | 10.16 | -39.71 | 2 | 1 | 1 | 17 | 314.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.52 | 9.12 | -2.77 | 1 | 1 | 0 | 12 | 313.388 | 5 | ↓ |