| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 32 | Yes |
| 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) | -1.17 | 2.12 | -24.7 | 2 | 8 | 0 | 106 | 441.528 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 1.35 | -39.96 | 3 | 8 | 1 | 103 | 442.536 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | 2.11 | -32 | 3 | 8 | 1 | 103 | 442.536 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-benzyl-4-[[(4-morpholin-4-ium-4-ylidenecyclobut-2-en-1-ylidene)amino]methyl]cyclohexanecarboxamide](http://zinc12.docking.org/img/rings/57566.gif)