In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 22 | Yes |
Popular Name: (1S)-N'-[(2-ethoxyphenyl)methyl]-N,N-dimethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-[(2-ethoxyphenyl)methyl]…
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) | 3.49 | 10.28 | -32.8 | 2 | 3 | 1 | 26 | 299.438 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 8.33 | -35.03 | 2 | 3 | 1 | 29 | 299.438 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 8.05 | -3.39 | 1 | 3 | 0 | 24 | 298.43 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.49 | 10.82 | -116.92 | 3 | 3 | 2 | 30 | 300.446 | 8 | ↓ |