In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N2-(2-methoxyethyl)-N2-methyl-1-phenyl-N1-propyl-butane-1,2-diamine (1S,2R)-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) | 3.44 | 6.56 | -37.71 | 2 | 3 | 1 | 29 | 279.448 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 6.84 | -2.55 | 1 | 3 | 0 | 24 | 278.44 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 6.4 | -29.42 | 2 | 3 | 1 | 26 | 279.448 | 10 | ↓ |