| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: (2S)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propionic-acid-ethyl-ester (2S)-2-[(3-cyano-4,6-dimethyl-2-…
| 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) | 2.76 | 3.35 | -10.63 | 0 | 4 | 0 | 62 | 264.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | 3.42 | -40.26 | 1 | 4 | 1 | 64 | 265.358 | 5 | ↓ |
