In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2R)-N2-ethyl-N2-isobutyl-4-(4-methoxyphenyl)-2-methyl-butane-1,2-diamine (2R)-N2-ethyl-N2-isobutyl-4-(4-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) | 3.46 | 6.83 | -46.49 | 3 | 3 | 1 | 40 | 293.475 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 8.07 | -34.01 | 3 | 3 | 1 | 40 | 293.475 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 8.11 | -123.25 | 4 | 3 | 2 | 41 | 294.483 | 9 | ↓ |