| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 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) | 3.56 | 9.06 | -13.5 | 1 | 7 | 0 | 141 | 345.362 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 9.26 | -15.04 | 0 | 7 | 0 | 139 | 344.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 2.44 | -56.47 | 2 | 7 | 1 | 142 | 346.37 | 2 | ↓ |
