In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 16 | Yes |
Popular Name: (1R)-N-methyl-1-[(3S)-tetrahydrofuran-3-yl]-N-[(1R)-1,2,2-trimethylpropyl]ethane-1,2-diamine (1R)-N-methyl-1-[(3S)-tetrahydro…
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) | 1.65 | 2.17 | -45.77 | 3 | 3 | 1 | 40 | 229.388 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 3.7 | -123.76 | 4 | 3 | 2 | 41 | 230.396 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 3.32 | -28.79 | 3 | 3 | 1 | 40 | 229.388 | 5 | ↓ |