In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclohexane-1,2-diamine (1R,2S)-N1-ethyl-N1-[[(2R)-tetra…
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) | 1.36 | 3.36 | -38.93 | 3 | 3 | 1 | 40 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.36 | 5.06 | -28.43 | 3 | 3 | 1 | 40 | 227.372 | 4 | ↓ |