| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 18 | Yes |
Popular Name: 3-chloro-4-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]benzonitrile 3-chloro-4-[[(1S,8R)-2,3,5,6,7,8…
| 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) | 3.36 | 7.68 | -42.71 | 2 | 3 | 1 | 40 | 262.764 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 5.17 | -5.26 | 1 | 3 | 0 | 39 | 261.756 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
