In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-1-[(3S)-3-ethylmorpholin-4-yl]butan-2-amine (1S,2R)-1-(4-chlorophenyl)-1-[(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) | 3.06 | 3.84 | -45.71 | 3 | 3 | 1 | 40 | 297.85 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 6.28 | -119.58 | 4 | 3 | 2 | 41 | 298.858 | 5 | ↓ |