| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2014 | 15 | No |
Popular Name: 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE 4-(N-NITROSOMETHYLAMINO)-1-(3-PY…
Find On: PubMed — Wikipedia — Google
CAS Number: 64091-91-4
| 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) | 0.36 | 2.06 | -43.43 | 2 | 5 | 1 | 76 | 208.241 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 0.78 | -7.74 | 1 | 5 | 0 | 71 | 207.233 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.