| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 19 | Yes |
Popular Name: [3-[(4-methylpiperazin-1-yl)methyl]benzothiophen-2-yl]methanamine [3-[(4-methylpiperazin-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) | 1.95 | 4.94 | -105.23 | 4 | 3 | 2 | 35 | 277.437 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 2.16 | -4.47 | 2 | 3 | 0 | 32 | 275.421 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.22 | -120.31 | 4 | 3 | 2 | 35 | 277.437 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 2.57 | -47.85 | 3 | 3 | 1 | 34 | 276.429 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
