| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | Yes |
Popular Name: 1-(3-methylbut-2-enyl)-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1S)-1…
| 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) | 3.74 | 8.65 | -33.56 | 2 | 2 | 1 | 16 | 279.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 9.64 | -106.73 | 3 | 2 | 2 | 21 | 280.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.74 | 7.4 | -37.74 | 2 | 2 | 1 | 20 | 279.473 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
