In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2009 | 24 | Yes |
Popular Name: 4-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]-N,N-dimethyl-aniline 4-[[[(1S)-1-(4-imidazol-1-ylphen…
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) | 2.89 | 11.89 | -50.85 | 2 | 4 | 1 | 38 | 321.448 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 10.61 | -7.84 | 1 | 4 | 0 | 33 | 320.44 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.89 | 12.37 | -89.53 | 3 | 4 | 2 | 39 | 322.456 | 6 | ↓ |