| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 13th, 2009 | 12 | Yes |
Popular Name: MFCD13561538 MFCD13561538
Find On: PubMed — Wikipedia — Google
CAS Numbers: 813425-61-5 , 814916-95-5
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) | 1.08 | 3.11 | -37.04 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 1.56 | -0.85 | 1 | 2 | 0 | 15 | 168.284 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 3.96 | -29.73 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 5.3 | -103.12 | 3 | 2 | 2 | 21 | 170.3 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
