In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2010 | 15 | Yes |
Popular Name: [(3R)-1-[(4-bromo-2-thienyl)methyl]-3-piperidyl]methanamine [(3R)-1-[(4-bromo-2-thienyl)meth…
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) | 1.96 | 3.79 | -45.45 | 3 | 2 | 1 | 31 | 290.25 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.96 | 6.02 | -107.39 | 4 | 2 | 2 | 32 | 291.258 | 3 | ↓ |