| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | No |
Popular Name: (2E)-2-(azepan-2-ylidene)-2-nitro-1-(p-tolyl)ethane-1,1-diol (2E)-2-(azepan-2-ylidene)-2-nitr…
| 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) | 2.26 | 5.49 | -14.58 | 1 | 6 | 0 | 101 | 291.327 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 5 | -8.6 | 2 | 6 | 0 | 99 | 292.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
