In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 2nd, 2011 | 27 | Yes |
Popular Name: (2R)-1-[benzyl(methyl)amino]-3-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]propan-2-ol (2R)-1-[benzyl(methyl)amino]-3-[…
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) | 2.55 | 6.77 | -45.63 | 2 | 5 | 1 | 46 | 373.517 | 11 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.83 | -44.56 | 2 | 5 | 1 | 46 | 373.517 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 9.15 | -117.27 | 3 | 5 | 2 | 48 | 374.525 | 11 | ↓ |