| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 13 | Yes |
Popular Name: (2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]butanenitrile (2S)-2-[[(1R)-cyclohex-3-en-1-yl…
| 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) | 2.55 | 5.51 | -4.19 | 1 | 2 | 0 | 36 | 178.279 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.48 | -47.09 | 2 | 2 | 1 | 40 | 179.287 | 4 | ↓ |
