| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(4-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)ethanol (1S)-1-(4-chlorophenyl)-2-(2-pyr…
| 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) | 1.67 | 5.9 | -120.88 | 4 | 3 | 2 | 41 | 270.804 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 2.11 | -3.7 | 2 | 3 | 0 | 35 | 268.788 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 4.56 | -35.35 | 3 | 3 | 1 | 37 | 269.796 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 3.45 | -44.83 | 3 | 3 | 1 | 40 | 269.796 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
