| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 36 | No |
| 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) | -0.43 | 5.37 | -78.43 | 2 | 11 | 0 | 136 | 500.531 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 4.81 | -60.91 | 1 | 11 | -1 | 134 | 499.523 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 4.76 | -62.01 | 3 | 11 | 0 | 133 | 501.539 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 8.31 | -94 | 3 | 11 | 0 | 137 | 501.539 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 6.48 | -71.37 | 4 | 11 | 0 | 134 | 502.547 | 5 | ↓ |
![7,8,9,10-tetrahydro-6H-pyrimido[2,1-g][1,4]diazepin-4-one](http://zinc12.docking.org/img/rings/15071.gif)
![N-[2-(benzyliminomethyl)-4-keto-7,8,9,10-tetrahydro-6H-pyrimido[2,1-g][1,4]diazepin-10-yl]-2-keto-2-pyrrolidino-acetamide](http://zinc12.docking.org/img/rings/15075.gif)
