In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1,N2-diethyl-N2-(2-methoxyethyl)-1-phenyl-propane-1,2-diamine (1S,2R)-N1,N2-diethyl-N2-(2-meth…
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) | 2.78 | 6.29 | -33.78 | 2 | 3 | 1 | 29 | 265.421 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 5.37 | -1.91 | 1 | 3 | 0 | 24 | 264.413 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 5.35 | -28.71 | 2 | 3 | 1 | 26 | 265.421 | 9 | ↓ |