| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | No |
Popular Name: (3R,4S)-4-methyl-1-[(3R)-tetrahydrothiopyran-3-yl]piperidin-3-amine (3R,4S)-4-methyl-1-[(3R)-tetrahy…
| 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) | 1.00 | 5.3 | -115.36 | 4 | 2 | 2 | 32 | 216.394 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 2.97 | -42.07 | 3 | 2 | 1 | 31 | 215.386 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 5 | -33.41 | 3 | 2 | 1 | 30 | 215.386 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
