| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 21 | Yes |
Popular Name: [3-[(4-propylpiperazin-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-propylpiperazin-1-yl)meth…
| 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) | 2.83 | 6.36 | -106.19 | 4 | 3 | 2 | 35 | 305.491 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 5.96 | -38.59 | 3 | 3 | 1 | 34 | 304.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 3.69 | -4.66 | 2 | 3 | 0 | 32 | 303.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 4.1 | -47.69 | 3 | 3 | 1 | 34 | 304.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
