| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 17 | Yes |
Popular Name: 2-chloro-6-[[(3S)-1-methyl-3-piperidyl]amino]benzonitrile 2-chloro-6-[[(3S)-1-methyl-3-pip…
| 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) | 3.22 | 7.32 | -43.94 | 2 | 3 | 1 | 40 | 250.753 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 4.95 | -5.68 | 1 | 3 | 0 | 39 | 249.745 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
