| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2011 | 16 | Yes |
Popular Name: 4-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline 4-(1,2,3,6-tetrahydropyridin-4-y…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1342663-29-9 , 1461715-59-2
| 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) | 1.83 | 6.37 | -46.32 | 2 | 2 | 1 | 29 | 211.288 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 5.01 | -5.51 | 1 | 2 | 0 | 25 | 210.28 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 6.84 | -88.11 | 3 | 2 | 2 | 31 | 212.296 | 1 | ↓ |
| 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.
