In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 19 | Yes |
Popular Name: (2R)-1-(2-thienyl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (2R)-1-(2-thienyl)-3-[3-(trifluo…
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) | 3.55 | 7.92 | -46.18 | 3 | 1 | 1 | 28 | 286.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 7.59 | -4.87 | 2 | 1 | 0 | 26 | 285.334 | 5 | ↓ |