| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 11 | Yes |
Popular Name: MFCD21606136 MFCD21606136
Find On: PubMed — Wikipedia — Google
CAS Number: 1361116-47-3
| 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) | -0.20 | 0.2 | -43.41 | 3 | 4 | 1 | 55 | 154.193 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | -1.22 | -8.5 | 2 | 4 | 0 | 50 | 153.185 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0182769A1; US4698093 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.