| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 15 | Yes |
Popular Name: (3-(4-Methylpiperazin-1-yl)phenyl)methanol (3-(4-Methylpiperazin-1-yl)pheny…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123987-13-3 , [123987-13-3]
| 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) | 1.25 | 4.04 | -39.72 | 2 | 3 | 1 | 28 | 207.297 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 1.32 | -8.3 | 0 | 3 | 0 | 31 | 151.165 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 1.7 | -5.45 | 1 | 3 | 0 | 27 | 206.289 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.