In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-N'-ethyl-N'-[(3-fluoro-4-methoxy-phenyl)methyl]-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-[(3-fluoro-4-me…
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) | 1.82 | 4.15 | -47.65 | 3 | 3 | 1 | 40 | 255.357 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 5.56 | -40.57 | 3 | 3 | 1 | 40 | 255.357 | 7 | ↓ |