| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 14 | Yes |
Popular Name: 2-(2-aminoethyl)-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride 2-(2-aminoethyl)-1,2,3,4-tetrahy…
Find On: PubMed — Wikipedia — Google
CAS Number: 1797214-87-9
| 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) | -0.30 | 3.37 | -48.12 | 3 | 3 | 1 | 48 | 191.254 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.30 | 2.99 | -9.62 | 2 | 3 | 0 | 46 | 190.246 | 2 | ↓ |
| 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.
