| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 15 | No |
Popular Name: N-[2-(piperidin-1-yl)ethyl]thian-4-amine N-[2-(piperidin-1-yl)ethyl]thian…
Find On: PubMed — Wikipedia — Google
CAS Number: 1251099-43-0
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) | 1.95 | 5.29 | -42.28 | 2 | 2 | 1 | 20 | 229.413 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 7.51 | -120.95 | 3 | 2 | 2 | 21 | 230.421 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 6.32 | -35.09 | 2 | 2 | 1 | 16 | 229.413 | 4 | ↓ |
| 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.
