| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: (3S)-3-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-3-phenyl-propanenitrile (3S)-3-[methyl-[[(2R)-tetrahydro…
| 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) | 2.26 | 6.87 | -6.16 | 0 | 3 | 0 | 36 | 258.365 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 9.01 | -37.65 | 1 | 3 | 1 | 37 | 259.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
