| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 26 | No |
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) | 3.47 | 8.75 | -22.11 | 2 | 7 | 0 | 143 | 345.362 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.47 | 8.61 | -60.32 | 3 | 7 | 1 | 145 | 346.37 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.