In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 1st, 2006 | 24 | No |
Popular Name: 4-amino-1-(4-bromophenyl)-6,7,8,8a-tetrahydro-1H-naphthalene-2,2,3-tricarbonitrile 4-amino-1-(4-bromophenyl)-6,7,8,…
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) | 4.43 | 8.82 | -14.37 | 2 | 4 | 0 | 97 | 379.261 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.43 | 8.68 | -63.19 | 3 | 4 | 1 | 99 | 380.269 | 1 | ↓ |