In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2R,4S)-2-ethyl-N2,4-dimethyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]hexane-1,2-diamine (2R,4S)-2-ethyl-N2,4-dimethyl-N2…
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) | 2.35 | 4.86 | -40.57 | 3 | 3 | 1 | 40 | 257.442 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.35 | 6.52 | -26.39 | 3 | 3 | 1 | 40 | 257.442 | 8 | ↓ |