In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N2-(2-methoxyethyl)-N2-methyl-1-phenyl-butane-1,2-diamine (1R,2S)-N2-(2-methoxyethyl)-N2-m…
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) | 0.31 | 3.34 | -45.16 | 3 | 3 | 1 | 40 | 237.367 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 3.02 | -3.27 | 2 | 3 | 0 | 38 | 236.359 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.31 | 5.12 | -112.02 | 4 | 3 | 2 | 41 | 238.375 | 7 | ↓ |