| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 25 | Yes |
Popular Name: MFCD12963840 MFCD12963840
Find On: PubMed — Wikipedia — Google
CAS Numbers: 127169-00-0 , 127212-06-0
| 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) | 3.27 | 10.05 | -41.44 | 2 | 4 | 1 | 43 | 339.459 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 7.53 | -6.51 | 1 | 4 | 0 | 42 | 338.451 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.