| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 26 | Yes |
Popular Name: 2-[4-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]piperazin-1-yl]-N-allyl-acetamide 2-[4-[2-(4-acetyl-3,5-dimethyl-1…
None
| 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) | 1.21 | 5.42 | -51.94 | 3 | 7 | 1 | 87 | 361.466 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 3.19 | -21.75 | 2 | 7 | 0 | 86 | 360.458 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 7.69 | -133.77 | 4 | 7 | 2 | 88 | 362.474 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 5.44 | -54.54 | 3 | 7 | 1 | 87 | 361.466 | 8 | ↓ |
