| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2011 | 21 | Yes |
Popular Name: 2-[(3S,5R)-3,5-dimethyl-1-piperidyl]quinoline-3-carboxamidine 2-[(3S,5R)-3,5-dimethyl-1-piperi…
| 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) | 2.33 | 7.41 | -38.04 | 4 | 4 | 1 | 68 | 283.399 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 8.39 | -8.04 | 3 | 4 | 0 | 66 | 282.391 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
