| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 8 | Yes |
Popular Name: (S)-Piperazin-2-ylmethanol dihydrochloride (S)-Piperazin-2-ylmethanol dihyd…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122323-87-9 , 149629-73-2 , 28795-50-8
| 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 | -5.06 | -26.57 | 3 | 3 | 0 | 51 | 116.164 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.25 | -5.23 | -3.77 | 3 | 3 | 0 | 44 | 116.164 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | -2.57 | -108.8 | 5 | 3 | 2 | 53 | 118.18 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.25 | -4.01 | -41.83 | 4 | 3 | 1 | 49 | 117.172 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4010268 | IBM Patent Data |
