In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (1S)-N-[(1R)-1-(benzofuran-2-yl)ethyl]-1-(5-methyl-2-thienyl)ethanamine (1S)-N-[(1R)-1-(benzofuran-2-yl)…
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) | 4.70 | 9.83 | -35.77 | 2 | 2 | 1 | 30 | 286.42 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.70 | 8.76 | -6.13 | 1 | 2 | 0 | 25 | 285.412 | 4 | ↓ |