In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 18 | Yes |
Popular Name: (1R)-1-[5-[3-(trifluoromethyl)phenyl]-2-thienyl]ethanamine (1R)-1-[5-[3-(trifluoromethyl)ph…
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) | 2.49 | 7.1 | -44.12 | 3 | 1 | 1 | 28 | 272.315 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 6.75 | -5.03 | 2 | 1 | 0 | 26 | 271.307 | 3 | ↓ |