| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 27 | Yes |
Popular Name: 3-[(1-benzyl-4-piperidyl)amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[(1-benzyl-4-piperidyl)amino]-…
| 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) | -1.51 | 3.62 | -84.16 | 3 | 6 | 2 | 63 | 370.497 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.34 | -39.29 | 2 | 6 | 1 | 61 | 369.489 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.51 | 4.39 | -48.73 | 2 | 6 | 1 | 66 | 369.489 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.51 | 5.99 | -162.91 | 4 | 6 | 3 | 65 | 371.505 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
