| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: MFCD01062649 MFCD01062649
Find On: PubMed — Wikipedia — Google
CAS Number: 327049-50-3
| 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) | 4.21 | 2.01 | -6.63 | 1 | 3 | 0 | 48 | 257.724 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.21 | 2.07 | -29.9 | 2 | 3 | 1 | 49 | 258.732 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
