| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 21 | Yes |
Popular Name: 2-[(2S)-4-[(3-chlorobenzothiophen-2-yl)methyl]-1-methyl-piperazin-2-yl]ethanol 2-[(2S)-4-[(3-chlorobenzothiophe…
| 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) | 3.07 | 5.62 | -36.57 | 2 | 3 | 1 | 28 | 325.885 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 5.55 | -35.83 | 2 | 3 | 1 | 28 | 325.885 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 3.31 | -5.92 | 1 | 3 | 0 | 27 | 324.877 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
