In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N2-(2-methoxyethyl)-N2-methyl-1-phenyl-butane-1,2-diamine (1S,2S)-N1-ethyl-N2-(2-methoxyet…
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) | 2.94 | 6.03 | -29.24 | 2 | 3 | 1 | 29 | 265.421 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.12 | -2.27 | 1 | 3 | 0 | 24 | 264.413 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 6.64 | -32.68 | 2 | 3 | 1 | 26 | 265.421 | 9 | ↓ |