| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 13 | Yes |
Popular Name: (3R)-3-[[(1S)-cyclohex-3-en-1-yl]methylamino]butanenitrile (3R)-3-[[(1S)-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) | 1.69 | 6.48 | -46.16 | 2 | 2 | 1 | 40 | 179.287 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 5.4 | -7.31 | 1 | 2 | 0 | 36 | 178.279 | 4 | ↓ |
