| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 11 | Yes |
Popular Name: MFCD18071364 MFCD18071364
Find On: PubMed — Wikipedia — Google
CAS Number: 1332529-25-5
| 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) | -0.03 | 3.41 | -42.06 | 2 | 3 | 1 | 42 | 150.205 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 2.36 | -4.48 | 1 | 3 | 0 | 38 | 149.197 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
