| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 30 | Yes |
Popular Name: MFCD02682148 MFCD02682148
Find On: PubMed — Wikipedia — Google
CAS Number: 1185300-97-3
| 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) | 4.04 | 12.34 | -135 | 1 | 7 | -2 | 119 | 401.374 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 10.25 | -51.76 | 2 | 7 | -1 | 116 | 402.382 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.04 | 10.39 | -62.25 | 2 | 7 | -1 | 116 | 402.382 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
