| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (2R,4R)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[(1S)-1-(5-chloro-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) | 3.49 | 6.32 | -39.78 | 2 | 2 | 1 | 26 | 260.81 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 5.27 | -3.4 | 1 | 2 | 0 | 21 | 259.802 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
