| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 20 | Yes |
Popular Name: 3-[[(5-chloro-2-methoxy-phenyl)methylamino]methyl]benzonitrile 3-[[(5-chloro-2-methoxy-phenyl)m…
| 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) | 3.29 | 8.51 | -50.22 | 2 | 3 | 1 | 50 | 287.77 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.29 | 7.12 | -7.23 | 1 | 3 | 0 | 45 | 286.762 | 5 | ↓ |
