In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: N-ethyl-2-[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]-N-methyl-acetamide N-ethyl-2-[[(1S,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) | 1.18 | 3.3 | -34.85 | 3 | 4 | 1 | 57 | 243.371 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 2.5 | -9.08 | 2 | 4 | 0 | 53 | 242.363 | 5 | ↓ |