In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-[(1S)-1-cyclopropylethyl]-N1-(2-methoxyethyl)-1-phenyl-propane-1,2-diamine (1S,2R)-N1-[(1S)-1-cyclopropylet…
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) | 2.32 | 6.27 | -103.08 | 4 | 3 | 2 | 41 | 278.44 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 5.94 | -26.78 | 3 | 3 | 1 | 40 | 277.432 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.32 | 4.59 | -39.34 | 3 | 3 | 1 | 40 | 277.432 | 8 | ↓ |