| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 14 | No |
Popular Name: 2-[(3R)-1-[(3R)-tetrahydrothiophen-3-yl]-3-piperidyl]ethanamine 2-[(3R)-1-[(3R)-tetrahydrothioph…
| 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) | 0.84 | 5.48 | -98.94 | 4 | 2 | 2 | 32 | 216.394 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 3.31 | -44.42 | 3 | 2 | 1 | 31 | 215.386 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
