| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 23 | Yes |
Popular Name: 7-[(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(1-methyl-3,5-dihydro-2H-1,4-…
| 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) | 2.14 | 9.68 | -42.39 | 1 | 5 | 1 | 42 | 327.433 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 7.99 | -34.43 | 1 | 5 | 1 | 42 | 327.433 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 7.59 | -12.04 | 0 | 5 | 0 | 41 | 326.425 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Thiazolo[3,2-a]pyrimidin-5-one](http://zinc12.docking.org/img/rings/1513.gif)
![7-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylmethyl)thiazolo[3,2-a]pyrimidin-5-one](http://zinc12.docking.org/img/rings/272362.gif)