| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2011 | 18 | No |
Popular Name: (3R,4S)-6-amino-5-cyano-4-(2-thienyl)-2-thioxo-3,4-dihydro-1H-pyridine-3-carboxamide (3R,4S)-6-amino-5-cyano-4-(2-thi…
| 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) | -0.24 | 1.92 | -22.79 | 5 | 5 | 0 | 107 | 279.37 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 0.31 | -26.78 | 3 | 5 | 0 | 109 | 277.354 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | -0.05 | -29.01 | 3 | 5 | 0 | 109 | 277.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 1.5 | -19.75 | 4 | 5 | 0 | 105 | 278.362 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.