In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 18 | Yes |
Popular Name: (3R)-3-phenyl-3-[[(2S)-tetrahydropyran-2-yl]methylamino]propanenitrile (3R)-3-phenyl-3-[[(2S)-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) | 1.11 | 7.38 | -42.82 | 2 | 3 | 1 | 50 | 245.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 6.1 | -6.81 | 1 | 3 | 0 | 45 | 244.338 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.