| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 22 | Yes |
Popular Name: [(5S)-5-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-methylpiperazin-1-yl)methanone [(5S)-5-tert-butyl-4,5,6,7-tetra…
| 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) | 3.90 | 7.48 | -7.91 | 0 | 3 | 0 | 24 | 320.502 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.90 | 9.85 | -46.35 | 1 | 3 | 1 | 25 | 321.51 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
