In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 18 | Yes |
Popular Name: (2R)-2-cyano-N-ethyl-3-methyl-N-(4-pyridylmethyl)butanamide (2R)-2-cyano-N-ethyl-3-methyl-N-…
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) | 2.18 | 6.65 | -11.42 | 0 | 4 | 0 | 57 | 245.326 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.18 | 7.11 | -42.79 | 1 | 4 | 1 | 58 | 246.334 | 5 | ↓ |