In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 15 | Yes |
Popular Name: N',N'-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine N',N'-dimethyl-N-[(1-methylimida…
None
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) | 0.23 | 6.94 | -175.09 | 4 | 4 | 3 | 40 | 213.349 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.23 | 5.12 | -40.15 | 2 | 4 | 1 | 34 | 211.333 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.23 | 5.59 | -73.1 | 3 | 4 | 2 | 36 | 212.341 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.23 | 6.49 | -98.41 | 3 | 4 | 2 | 39 | 212.341 | 7 | ↓ |