In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 16 | Yes |
Popular Name: (1R)-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-(3-thienyl)ethane-1,2-diamine (1R)-N-methyl-N-[[(2R)-tetrahydr…
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) | 0.69 | 3.39 | -42.79 | 3 | 3 | 1 | 40 | 241.38 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 2.17 | -3.35 | 2 | 3 | 0 | 38 | 240.372 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 4.67 | -116.9 | 4 | 3 | 2 | 41 | 242.388 | 5 | ↓ |