| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 9 | Yes |
Popular Name: MFCD00006498 MFCD00006498
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7149-42-0 , 73579-08-5
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) | 0.52 | 2.41 | -32.51 | 2 | 2 | 1 | 16 | 129.227 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 1.34 | -37.2 | 2 | 2 | 1 | 20 | 129.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.