| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 10 | Yes |
Popular Name: MFCD21606046 MFCD21606046
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1361111-70-7 , 56904-18-8
2-Piperazinecarboxamide, 4-methyl- (9CI)
4-Methyl-piperazine-2-carboxylic acid amide
| 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) | -0.73 | -2.2 | -42.1 | 4 | 4 | 1 | 60 | 144.198 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | -3.21 | -35.37 | 4 | 4 | 1 | 63 | 144.198 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.73 | -4.6 | -6.78 | 3 | 4 | 0 | 58 | 143.19 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0604185A1; EP0604185B1; US5733906; US5905077 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.