In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2010 | 14 | Yes |
Popular Name: [(3R)-1-[(5-bromo-2-thienyl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(5-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) | 1.88 | 2.97 | -46.76 | 3 | 2 | 1 | 31 | 276.223 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 5.49 | -110.22 | 4 | 2 | 2 | 32 | 277.231 | 3 | ↓ |