| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 29 | Yes |
Popular Name: 2-[(2S)-4-[(3-chloro-4,5-dimethoxy-phenyl)methyl]-1-(o-tolylmethyl)piperazin-2-yl]ethanol 2-[(2S)-4-[(3-chloro-4,5-dimetho…
| 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) | 3.51 | 8.06 | -50.2 | 2 | 5 | 1 | 46 | 419.973 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 7.64 | -41.86 | 2 | 5 | 1 | 46 | 419.973 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.51 | 5.79 | -7.92 | 1 | 5 | 0 | 45 | 418.965 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
