In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 18 | Yes |
Popular Name: (1R,2R,4S)-2-[[(1S)-1-cyclopropylethyl]-methyl-amino]-4-propyl-cyclohexanecarbonitrile (1R,2R,4S)-2-[[(1S)-1-cyclopropy…
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) | 4.35 | 10.32 | -43.99 | 1 | 2 | 1 | 28 | 249.422 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 8.55 | -4.5 | 0 | 2 | 0 | 27 | 248.414 | 5 | ↓ |