| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 15 | Yes |
Popular Name: (3R,4S)-3-methyl-1-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine (3R,4S)-3-methyl-1-[(1S)-1-(3-th…
| 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) | 1.63 | 3.83 | -40.36 | 3 | 2 | 1 | 31 | 225.381 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 5.64 | -29.31 | 3 | 2 | 1 | 30 | 225.381 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 5.89 | -109.72 | 4 | 2 | 2 | 32 | 226.389 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
