In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 20 | Yes |
Popular Name: (2S)-1-ethoxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine (2S)-1-ethoxy-N-[(1S)-1-(4-imida…
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) | 2.08 | 8.94 | -43.78 | 2 | 4 | 1 | 44 | 274.388 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 7.96 | -7.43 | 1 | 4 | 0 | 39 | 273.38 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 9.45 | -81.41 | 3 | 4 | 2 | 45 | 275.396 | 7 | ↓ |