| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 33 | Yes |
None
None
| 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) | -1.18 | 1.98 | -38.78 | 3 | 8 | 1 | 97 | 461.468 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.18 | 2.75 | -21.67 | 2 | 8 | 0 | 100 | 460.46 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -1.18 | 4.19 | -119.35 | 4 | 8 | 2 | 98 | 462.476 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-(cyclopropylamino)-4-[4-[2-(1,6-naphthyridin-5-ylamino)ethyl]piperazin-1-ium-1-ylidene]cyclobut-2-en-1-one](http://zinc12.docking.org/img/rings/19902.gif)