In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 18 | Yes |
Popular Name: N-[(5-bromo-2-thienyl)methyl]-4-(trifluoromethyl)cyclohexanamine N-[(5-bromo-2-thienyl)methyl]-4-…
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) | 4.56 | 8.62 | -45.94 | 2 | 1 | 1 | 17 | 343.232 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.56 | 7.56 | -3.67 | 1 | 1 | 0 | 12 | 342.224 | 4 | ↓ |