| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 18 | Yes |
Popular Name: (1S)-1-(4-chlorophenyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[[(2S)…
| 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) | 2.60 | 4.96 | -41.21 | 2 | 3 | 1 | 29 | 269.796 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 3.86 | -2.85 | 1 | 3 | 0 | 24 | 268.788 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 7.38 | -106.05 | 3 | 3 | 2 | 30 | 270.804 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 6.29 | -36.67 | 2 | 3 | 1 | 26 | 269.796 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
