| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 15 | Yes |
Popular Name: (2S,4S)-2-methyl-N-[(1S)-1-(2-thienyl)ethyl]tetrahydropyran-4-amine (2S,4S)-2-methyl-N-[(1S)-1-(2-th…
| 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) | 2.69 | 5.66 | -36.49 | 2 | 2 | 1 | 26 | 226.365 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 4.61 | -3.44 | 1 | 2 | 0 | 21 | 225.357 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
