In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 16 | Yes |
Popular Name: 1-(5-bromo-2-pyridyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]methanamine 1-(5-bromo-2-pyridyl)-N-[[(2R)-1…
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) | 0.93 | 3.3 | -43.89 | 2 | 4 | 1 | 48 | 288.165 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 1.87 | -7.14 | 1 | 4 | 0 | 43 | 287.157 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.