| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 21 | Yes |
Popular Name: (2S)-2-(methylamino)-3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-propanenitrile (2S)-2-(methylamino)-3-[(6-methy…
| 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) | 2.60 | 4.78 | -11.52 | 2 | 5 | 0 | 82 | 300.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.60 | 5.72 | -55 | 3 | 5 | 1 | 86 | 301.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
