In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 11th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine (1S,2R)-1-(4-bromo-2-thienyl)-1-…
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) | 2.42 | 4.03 | -45.09 | 3 | 3 | 1 | 40 | 334.303 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 3.04 | -2.53 | 2 | 3 | 0 | 38 | 333.295 | 3 | ↓ |