In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 18 | Yes |
Popular Name: N'-[(4-imidazol-1-ylphenyl)methyl]-N,N-dimethyl-ethane-1,2-diamine N'-[(4-imidazol-1-ylphenyl)methy…
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) | 0.86 | 6.46 | -49.72 | 2 | 4 | 1 | 38 | 245.35 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 5.09 | -6.53 | 1 | 4 | 0 | 33 | 244.342 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 8.93 | -125.92 | 3 | 4 | 2 | 39 | 246.358 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 7.57 | -40.9 | 2 | 4 | 1 | 34 | 245.35 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.86 | 8.09 | -74.63 | 3 | 4 | 2 | 36 | 246.358 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.86 | 9.44 | -171.83 | 4 | 4 | 3 | 40 | 247.366 | 6 | ↓ |