| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | Yes |
Popular Name: 4-[[[(1S)-1-(3-bromo-4-methoxy-phenyl)ethyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(3-bromo-4-methoxy-p…
| 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) | 4.00 | 9.25 | -58.81 | 2 | 3 | 1 | 50 | 346.248 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 8.13 | -7.69 | 1 | 3 | 0 | 45 | 345.24 | 5 | ↓ |
