| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (2R,4S)-2-ethyl-N-[(2-methylthiazol-4-yl)methyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[(2-methylthia…
| 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) | 1.62 | 4.79 | -37.49 | 2 | 3 | 1 | 39 | 241.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 3.89 | -4.45 | 1 | 3 | 0 | 34 | 240.372 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
