In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 21 | Yes |
Popular Name: 1-[[(5-bromo-2-methoxy-phenyl)methylamino]methyl]-N,N-dimethyl-cyclohexanamine 1-[[(5-bromo-2-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 | 9.23 | -112.7 | 3 | 3 | 2 | 30 | 357.336 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 7.93 | -30.8 | 2 | 3 | 1 | 26 | 356.328 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.30 | 7.23 | -35.54 | 2 | 3 | 1 | 29 | 356.328 | 6 | ↓ |