In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: N-[(1S)-2-imidazol-1-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine N-[(1S)-2-imidazol-1-yl-1-(2,4,6…
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) | 3.44 | 10.77 | -40.54 | 2 | 3 | 1 | 34 | 272.416 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 10.46 | -5.09 | 1 | 3 | 0 | 30 | 271.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 10.67 | -105.57 | 3 | 3 | 2 | 36 | 273.424 | 6 | ↓ |