| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[(3-cyanophenyl)methylamino]-N,N,4-trimethyl-pentanamide (2S)-2-[(3-cyanophenyl)methylami…
| 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) | 1.78 | 7.62 | -45.27 | 2 | 4 | 1 | 61 | 274.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 6.65 | -8.92 | 1 | 4 | 0 | 56 | 273.38 | 6 | ↓ |
