| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2011 | 26 | Yes |
Popular Name: 3-amino-2-{4-nitrophenyl}-1,2,6,7,8,8a-hexahydro-1,2,4-naphthalenetricarbonitrile 3-amino-2-{4-nitrophenyl}-1,2,6,…
| 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) | 3.67 | 10.17 | -47.46 | 3 | 5 | 1 | 63 | 364.86 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 8.82 | -13.42 | 2 | 5 | 0 | 59 | 363.852 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.