In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 20 | Yes |
Popular Name: 2-bromo-4-[[(1-ethyl-4-piperidyl)amino]methyl]-6-methoxy-phenol 2-bromo-4-[[(1-ethyl-4-piperidyl…
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) | 2.60 | 4.73 | -39.49 | 3 | 4 | 1 | 46 | 344.273 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 5.65 | -66.89 | 2 | 4 | 0 | 49 | 343.265 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4.6 | -60.88 | 2 | 4 | 0 | 52 | 343.265 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.60 | 3.69 | -48.5 | 3 | 4 | 1 | 49 | 344.273 | 5 | ↓ |