In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 17 | Yes |
Popular Name: (2S)-2-cyano-N-methyl-N-(3-pyridylmethyl)pentanamide (2S)-2-cyano-N-methyl-N-(3-pyrid…
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) | 1.42 | 6.09 | -8.9 | 0 | 4 | 0 | 57 | 231.299 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.42 | 6.56 | -41.79 | 1 | 4 | 1 | 58 | 232.307 | 5 | ↓ |