| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: [5-chloro-6-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [5-chloro-6-[(3R)-3-(1-piperidyl…
| 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) | 1.99 | 6.74 | -89.69 | 4 | 4 | 2 | 48 | 296.846 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 6.33 | -35.43 | 3 | 4 | 1 | 47 | 295.838 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.58 | -48.18 | 3 | 4 | 1 | 47 | 295.838 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.99 | 4.18 | -4.18 | 2 | 4 | 0 | 45 | 294.83 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
