| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 12 | Yes |
Popular Name: 4-Ethylaminomethyl-benzonitrile 4-Ethylaminomethyl-benzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 133042-86-1 , 4714-63-0
| 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) | 1.63 | 5.62 | -49 | 2 | 2 | 1 | 40 | 161.228 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 4.22 | -4.78 | 1 | 2 | 0 | 36 | 160.22 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.