In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 12 | Yes |
Popular Name: (3S)-6-ethyl-5-methyl-2-oxo-3H-pyridine-3-carbonitrile (3S)-6-ethyl-5-methyl-2-oxo-3H-p…
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) | 1.53 | 3.24 | -14.91 | 0 | 3 | 0 | 53 | 162.192 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 1.66 | -46.44 | 0 | 3 | -1 | 60 | 161.184 | 1 | ↓ |