| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 36 | 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) | 0.82 | 8.59 | -38.29 | 2 | 7 | 1 | 85 | 500.545 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 9.35 | -20.87 | 1 | 7 | 0 | 88 | 499.537 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[2-(cyclopropylamino)-4-keto-cyclobut-2-en-1-ylidene]-(cyclopropylmethyl)-[[1-(1,6-naphthyridin-5-yl)-4-piperidyl]methyl]ammonium](http://zinc12.docking.org/img/rings/19901.gif)