| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2011 | 28 | Yes |
Popular Name: 3-(diethylamino)-1-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]propan-1-one 3-(diethylamino)-1-[4-(4-pyrrol-…
| 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) | 1.43 | 11.5 | -51.43 | 1 | 6 | 1 | 50 | 383.516 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 9.35 | -14.57 | 0 | 6 | 0 | 49 | 382.508 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
