| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 35 | 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) | -1.43 | 1.25 | -86.06 | 2 | 12 | 0 | 154 | 485.476 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.43 | 0.75 | -64.71 | 1 | 12 | -1 | 153 | 484.468 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | 4.22 | -74.47 | 3 | 12 | 1 | 156 | 486.484 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.43 | 0.62 | -63.09 | 3 | 12 | 1 | 151 | 486.484 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.43 | 2.31 | -108.8 | 4 | 12 | 2 | 153 | 487.492 | 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]-1,3,4-oxadiazole-2-carboxamide](http://zinc12.docking.org/img/rings/15080.gif)
