In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (1R)-1-cyclohexyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethane-1,2-diamine (1R)-1-cyclohexyl-N-methyl-N-[[(…
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) | 1.80 | 5.62 | -115.86 | 4 | 3 | 2 | 41 | 242.407 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 3.46 | -40.62 | 3 | 3 | 1 | 40 | 241.399 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 5.77 | -28.15 | 3 | 3 | 1 | 40 | 241.399 | 5 | ↓ |