| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 34 | Yes |
Popular Name: (2E)-2-cyano-2-[(cyclohexylamino)BLAHylidene]acetamide (2E)-2-cyano-2-[(cyclohexylamino…
| 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) | 6.91 | 9.15 | -10.65 | 3 | 6 | 0 | 95 | 457.622 | 3 | ↓ |
| Mid Mid (pH 6-8) | 7.23 | 7.51 | -39.22 | 2 | 6 | 0 | 98 | 456.614 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 9.23 | -22.19 | 3 | 6 | 0 | 94 | 458.63 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
