| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 13 | Yes |
Popular Name: MFCD09049100 MFCD09049100
Find On: PubMed — Wikipedia — Google
CAS Number: 754977-02-1
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) | 0.73 | 2.6 | -104.23 | 4 | 3 | 2 | 45 | 179.267 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 2.01 | -5.41 | 2 | 3 | 0 | 42 | 177.251 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 2.4 | -48.94 | 3 | 3 | 1 | 44 | 178.259 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 57 - 59 | Enamine Building Blocks |
| MP | 57...59 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
