In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 18 | Yes |
Popular Name: N-butyl-2-[[(1R,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]acetamide N-butyl-2-[[(1R,3S)-1-(hydroxyme…
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) | 2.49 | 2.37 | -36.72 | 4 | 4 | 1 | 66 | 257.398 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 1.14 | -9.41 | 3 | 4 | 0 | 61 | 256.39 | 7 | ↓ |