In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-N'-isopropyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (1S)-1-(benzofuran-2-yl)-N'-isop…
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) | 1.62 | 5.67 | -41.83 | 3 | 3 | 1 | 44 | 301.332 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 5.26 | -6.39 | 2 | 3 | 0 | 42 | 300.324 | 6 | ↓ |