| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2011 | 20 | Yes |
Popular Name: (2R,4S)-1-(1,3-benzodioxol-4-ylmethyl)-4-hydroxy-piperidine-2-carboxylic (2R,4S)-1-(1,3-benzodioxol-4-ylm…
| 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) | -1.22 | 4.17 | -41.4 | 2 | 6 | 0 | 83 | 279.292 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.22 | 2.05 | -57.86 | 1 | 6 | -1 | 82 | 278.284 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
