In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 21 | Yes |
Popular Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine N-[(2-bromo-4,5-dimethoxy-phenyl…
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) | 2.68 | 6.56 | -37.89 | 2 | 4 | 1 | 38 | 358.3 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 8.35 | -115.46 | 3 | 4 | 2 | 40 | 359.308 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 7.07 | -32.38 | 2 | 4 | 1 | 35 | 358.3 | 7 | ↓ |