| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-[methyl-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-1-piperazin-1-yl-ethanone 2-[methyl-[(4S)-4,5,6,7-tetrahyd…
| 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) | 0.98 | 5.55 | -39.6 | 2 | 4 | 1 | 37 | 294.444 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 3.7 | -9.65 | 1 | 4 | 0 | 36 | 293.436 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 6.83 | -104.5 | 3 | 4 | 2 | 41 | 295.452 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
