| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2013 | 10 | Yes |
Popular Name: 2-OXO-1-PYRROLIDINEPROPIONITRILE 2-OXO-1-PYRROLIDINEPROPIONITRILE
Find On: PubMed — Wikipedia — Google
CAS Number: 7663-76-5
| 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) | -0.32 | 1.85 | -30.19 | 3 | 3 | 1 | 48 | 143.21 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.32 | -0.6 | -4.14 | 2 | 3 | 0 | 46 | 142.202 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | -0.25 | -48.7 | 3 | 3 | 1 | 48 | 143.21 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.