| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 17 | Yes |
Popular Name: MFCD07346344 MFCD07346344
Find On: PubMed — Wikipedia — Google
CAS Number: 870693-07-5
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) | 2.13 | 6.31 | -4.64 | 2 | 3 | 0 | 43 | 247.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.13 | -39.33 | 2 | 3 | 0 | 41 | 247.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 7.85 | -39.51 | 3 | 3 | 1 | 44 | 248.375 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.