| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3S)-N-[[(8R)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl]-1,1-dioxo-thian-3-amine (3S)-N-[[(8R)-8-bicyclo[4.2.0]oc…
| 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) | 1.48 | 4.98 | -59.53 | 2 | 3 | 1 | 51 | 266.386 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 3.79 | -11.9 | 1 | 3 | 0 | 46 | 265.378 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![Bicyclo[4.2.0]octa-1(6),2,4-triene](http://zinc12.docking.org/img/rings/5474.gif)
![7-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl-(1,1-diketothian-3-yl)amine](http://zinc12.docking.org/img/rings/286922.gif)