| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2008 | 9 | No |
Popular Name: MFCD06246563 MFCD06246563
Find On: PubMed — Wikipedia — Google
CAS Number: 1068976-78-2
| 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) | 1.63 | 3.8 | -32.53 | 3 | 2 | 1 | 30 | 129.227 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 2.07 | -38.55 | 3 | 2 | 1 | 31 | 129.227 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 141-144° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.