| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 20 | Yes |
Popular Name: 4-[[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]methyl]benzonitrile 4-[[[(1S)-1-(4-methylsulfanylphe…
| 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) | 3.64 | 10.3 | -55.52 | 2 | 2 | 1 | 40 | 283.42 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 9.18 | -6.78 | 1 | 2 | 0 | 36 | 282.412 | 5 | ↓ |
