| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3S)-3-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3-phenyl-propanenitrile (3S)-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) | 2.04 | 9.5 | -47.11 | 2 | 2 | 1 | 40 | 241.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 8.24 | -5.28 | 1 | 2 | 0 | 36 | 240.35 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
