| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 24 | Yes |
Popular Name: 2-chloro-1-(dimethylaminomethyl)-6,8-dihydroxy-7-propyl-pyrrolo[2,1-b][1,3]benzoxazin-9-one 2-chloro-1-(dimethylaminomethyl)…
| 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) | 3.74 | 5.63 | -33.03 | 3 | 6 | 1 | 80 | 351.81 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.74 | 3.05 | -8.57 | 2 | 6 | 0 | 78 | 350.802 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Pyrrolo[2,1-b][1,3]benzoxazin-9-one](http://zinc12.docking.org/img/rings/14266.gif)