| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 18 | Yes |
Popular Name: MFCD01117931 MFCD01117931
Find On: PubMed — Wikipedia — Google
CAS Number: 302801-90-7
None
| 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) | 1.08 | 3.28 | -37.32 | 3 | 4 | 1 | 46 | 253.366 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 2.25 | -41.75 | 3 | 4 | 1 | 49 | 253.366 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
