In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (2R)-N1-ethyl-N1-[[(2S)-tetrahydrofuran-2-yl]methyl]hexane-1,2-diamine (2R)-N1-ethyl-N1-[[(2S)-tetrahyd…
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) | 1.90 | 4.31 | -39.22 | 3 | 3 | 1 | 40 | 229.388 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 5.85 | -30.89 | 3 | 3 | 1 | 40 | 229.388 | 8 | ↓ |