In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 15 | Yes |
Popular Name: 1-[(2R)-1-[(5-bromo-2-thienyl)methyl]pyrrolidin-2-yl]-N-methyl-methanamine 1-[(2R)-1-[(5-bromo-2-thienyl)me…
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) | 2.75 | 4.57 | -44.05 | 2 | 2 | 1 | 20 | 290.25 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 5.51 | -34.56 | 2 | 2 | 1 | 16 | 290.25 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.75 | 6.89 | -116.07 | 3 | 2 | 2 | 21 | 291.258 | 4 | ↓ |