| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | Yes |
Popular Name: (1S)-1-(2,4-dibromophenyl)-N-[[(3S)-tetrahydropyran-3-yl]methyl]ethanamine (1S)-1-(2,4-dibromophenyl)-N-[[(…
| 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) | 4.36 | 7.98 | -43.93 | 2 | 2 | 1 | 26 | 378.128 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.36 | 6.95 | -2.38 | 1 | 2 | 0 | 21 | 377.12 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
