In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2R)-N1-ethyl-N2-isobutyl-N2-(2-methoxyethyl)-1-phenyl-propane-1,2-diamine (1R,2R)-N1-ethyl-N2-isobutyl-N2-…
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) | 3.52 | 8.29 | -103.42 | 3 | 3 | 2 | 30 | 294.483 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.52 | 7.42 | -1.71 | 1 | 3 | 0 | 24 | 292.467 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 8.94 | -31.55 | 2 | 3 | 1 | 29 | 293.475 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 7.92 | -31.27 | 2 | 3 | 1 | 26 | 293.475 | 10 | ↓ |