In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 16 | Yes |
Popular Name: (3R)-3-[[(1S,2S)-2-methylcyclohexyl]amino]azepan-2-one (3R)-3-[[(1S,2S)-2-methylcyclohe…
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) | 2.25 | 4.82 | -37.54 | 3 | 3 | 1 | 46 | 225.356 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.55 | -6 | 2 | 3 | 0 | 41 | 224.348 | 2 | ↓ |