| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 18 | Yes |
Popular Name: 3-[(3-pyrrolidin-1-ylpropylamino)methyl]benzonitrile 3-[(3-pyrrolidin-1-ylpropylamino…
| 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) | 1.93 | 7.38 | -39.11 | 2 | 3 | 1 | 40 | 244.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 8.8 | -118.37 | 3 | 3 | 2 | 45 | 245.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 6.28 | -51.46 | 2 | 3 | 1 | 44 | 244.362 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
