| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | Yes |
Popular Name: (3S)-3-phenyl-3-[[(3S)-tetrahydropyran-3-yl]methylamino]propanenitrile (3S)-3-phenyl-3-[[(3S)-tetrahydr…
| 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) | 0.99 | 7.23 | -46.78 | 2 | 3 | 1 | 50 | 245.346 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 6.07 | -6.06 | 1 | 3 | 0 | 45 | 244.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
