| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 22 | Yes |
Popular Name: MFCD03765025 MFCD03765025
Find On: PubMed — Wikipedia — Google
CAS Number: 708218-22-8
| 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) | 2.06 | -3.44 | -67.74 | 2 | 7 | -1 | 109 | 314.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | -3.31 | -92.88 | 3 | 7 | 0 | 108 | 315.358 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.