| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 20 | Yes |
Popular Name: (4-methylpiperazino)[4-(1H-pyrrol-1-yl)phenyl]methanone (4-methylpiperazino)[4-(1H-pyrro…
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CAS Number: 439097-47-9
| 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) | 1.05 | 9.04 | -46.8 | 1 | 4 | 1 | 30 | 270.356 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 6.7 | -8.91 | 0 | 4 | 0 | 28 | 269.348 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 87 - 89 | KeyOrganics |
