| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 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) | 4.71 | 10.94 | -35.85 | 2 | 8 | 1 | 101 | 472.569 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.71 | 10.23 | -55.92 | 0 | 8 | -1 | 103 | 470.553 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.71 | 9.48 | -16.82 | 1 | 8 | 0 | 100 | 471.561 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-imino-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepin-1-one](http://zinc12.docking.org/img/rings/40068.gif)
![N-(1-keto-2-phenyl-5-pyrrolidino-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepin-3-ylidene)benzamide](http://zinc12.docking.org/img/rings/40066.gif)