In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1R)-N-ethyl-N'-isobutyl-N'-(2-methoxyethyl)-1-phenyl-ethane-1,2-diamine (1R)-N-ethyl-N'-isobutyl-N'-(2-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) | 3.19 | 9.09 | -111.33 | 3 | 3 | 2 | 30 | 280.456 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 7.04 | -1.92 | 1 | 3 | 0 | 24 | 278.44 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 8.21 | -32.36 | 2 | 3 | 1 | 29 | 279.448 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 8.49 | -31.22 | 2 | 3 | 1 | 26 | 279.448 | 10 | ↓ |