| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 18 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-isoindolin-2-yl-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-isoindolin-…
| 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) | 1.83 | 7.46 | -41.43 | 2 | 3 | 1 | 40 | 242.346 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 4.95 | -8.33 | 1 | 3 | 0 | 39 | 241.338 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
