| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanone 1-(2,5-dimethyl-1H-pyrrol-3-yl)-…
| 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) | 1.88 | 6.92 | -32.72 | 2 | 4 | 1 | 41 | 278.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 4.97 | -6.61 | 1 | 4 | 0 | 39 | 277.412 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
