| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine 2-pyrrolidin-1-yl-N-[[2-(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) | 2.78 | 6.09 | -35.45 | 2 | 2 | 1 | 20 | 273.322 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 5.42 | -4.09 | 1 | 2 | 0 | 15 | 272.314 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 7.22 | -32.59 | 2 | 2 | 1 | 16 | 273.322 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 8.81 | -119.61 | 3 | 2 | 2 | 21 | 274.33 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
