| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2008 | 23 | Yes |
Popular Name: (3,5-dimethylbenzofuran-2-yl)-[(2S)-2-isopropyl-4-methyl-piperazin-1-yl]methanone (3,5-dimethylbenzofuran-2-yl)-[(…
| 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) | 3.74 | 9.64 | -42.19 | 1 | 4 | 1 | 38 | 315.437 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 7.29 | -5.54 | 0 | 4 | 0 | 37 | 314.429 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
