| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 18 | Yes |
Popular Name: MFCD09036992 MFCD09036992
Find On: PubMed — Wikipedia — Google
CAS Number: 401802-51-5
| 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) | 2.42 | 5.32 | -41.28 | 2 | 3 | 1 | 29 | 249.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 3.9 | -4.31 | 1 | 3 | 0 | 24 | 248.37 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 6.27 | -36.51 | 2 | 3 | 1 | 26 | 249.378 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
