| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1S)-1-[3-bromo-4-[[(2S)-tetrahydropyran-2-yl]methoxy]phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-[[(2S)-tetrahy…
| 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) | 3.73 | 7.25 | -45.2 | 2 | 3 | 1 | 35 | 329.258 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 6.07 | -4.91 | 1 | 3 | 0 | 30 | 328.25 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
