| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-4-[4-(cyanomethyl)anilino]-2-isopropyl-2-methyl-4-oxo-butanoic (2S)-4-[4-(cyanomethyl)anilino]-…
| 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) | 2.33 | 8.2 | -61.25 | 1 | 5 | -1 | 93 | 287.339 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 6.73 | -16.36 | 2 | 5 | 0 | 90 | 288.347 | 6 | ↓ |
