In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2S)-2-amino-N-[4-(1-cyano-1-methyl-ethyl)phenyl]butanamide (2S)-2-amino-N-[4-(1-cyano-1-met…
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) | 1.79 | 4.27 | -48.82 | 4 | 4 | 1 | 81 | 246.334 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 3.94 | -11 | 3 | 4 | 0 | 79 | 245.326 | 4 | ↓ |