In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 19 | Yes |
Popular Name: (3R,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-1-ium-3-carboxylic-acid-methyl-ester (3R,4R)-4-[4-(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) | 3.15 | 6.52 | -51.33 | 2 | 3 | 1 | 43 | 274.262 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.15 | 5.07 | -6.79 | 1 | 3 | 0 | 38 | 273.254 | 4 | ↓ |