| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 33 | No |
Popular Name: N-(6-anilino-3-pyridyl)-3-[(oxoBLAHyl)methylsulfanyl]propanamide N-(6-anilino-3-pyridyl)-3-[(oxoB…
| 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) | 4.34 | 11.28 | -19.12 | 3 | 7 | 0 | 100 | 477.615 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.34 | 10.81 | -46.43 | 4 | 7 | 1 | 101 | 478.623 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-(6-anilino-3-pyridyl)-3-[(ketoBLAHyl)methylthio]propionamide](http://zinc12.docking.org/img/rings/147941.gif)