| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]ethanone 1-(4-methylpiperazin-1-yl)-2-[[(…
| 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) | 0.43 | 7.45 | -104.73 | 3 | 4 | 2 | 41 | 295.452 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 4.03 | -9.21 | 1 | 4 | 0 | 36 | 293.436 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 5.1 | -44.65 | 2 | 4 | 1 | 40 | 294.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 6.39 | -46.12 | 2 | 4 | 1 | 37 | 294.444 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
