In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 21 | Yes |
Popular Name: 1-[[(3-bromo-4-methoxy-phenyl)methylamino]methyl]-N,N-dimethyl-cyclohexanamine 1-[[(3-bromo-4-methoxy-phenyl)me…
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) | 4.30 | 9.17 | -124.83 | 3 | 3 | 2 | 30 | 357.336 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 8.02 | -37.79 | 2 | 3 | 1 | 26 | 356.328 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 7.22 | -43.88 | 2 | 3 | 1 | 29 | 356.328 | 6 | ↓ |