| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2011 | 21 | Yes |
Popular Name: 2-(4-ethylpiperazin-1-yl)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-(4-ethylpiperazin-1-yl)-1-(1-i…
| 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) | 1.85 | 8.51 | -33.78 | 1 | 4 | 1 | 30 | 292.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 6.22 | -7.26 | 0 | 4 | 0 | 28 | 291.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
