In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(4-fluorophenyl)butyl]-isobutyl-amino]acetamide 2-[[(1S,2R)-2-amino-1-(4-fluorop…
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) | 1.68 | 4.22 | -123.51 | 6 | 4 | 2 | 75 | 297.418 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 4.19 | -36.32 | 5 | 4 | 1 | 74 | 296.41 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 3.21 | -52.89 | 5 | 4 | 1 | 74 | 296.41 | 8 | ↓ |