| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 13 | Yes |
Popular Name: 1-amino-2-(4-chlorophenyl)butan-2-ol 1-amino-2-(4-chlorophenyl)butan-…
Find On: PubMed — Wikipedia — Google
CAS Number: 1181447-90-4
| 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) | 1.69 | 2.15 | -50.23 | 4 | 2 | 1 | 48 | 200.689 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 1.55 | -3.44 | 3 | 2 | 0 | 46 | 199.681 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.