| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 23 | Yes |
Popular Name: 1-[4-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-1-yl]methyl]-2-thienyl]ethanone 1-[4-[[(3S)-3-(2-hydroxyethyl)-4…
| 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) | 2.64 | 5.8 | -37.77 | 2 | 4 | 1 | 45 | 339.525 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 3.6 | -8.68 | 1 | 4 | 0 | 44 | 338.517 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 5.85 | -43.34 | 2 | 4 | 1 | 45 | 339.525 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
