| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 15 | Yes |
Popular Name: (2S)-2-[(3-methoxyphenyl)methyl]piperazine (2S)-2-[(3-methoxyphenyl)methyl]…
Find On: PubMed — Wikipedia — Google
CAS Number: 218594-59-3
| 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) | 1.22 | 2.73 | -41.61 | 3 | 3 | 1 | 38 | 207.297 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 1.39 | -4.06 | 2 | 3 | 0 | 33 | 206.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.22 | 2.5 | -37.4 | 3 | 3 | 1 | 38 | 207.297 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.22 | 3.86 | -119.95 | 4 | 3 | 2 | 42 | 208.305 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
