| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 7th, 2011 | 18 | No |
Popular Name: (3S,4S)-6-amino-5-cyano-2-sulfanyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide (3S,4S)-6-amino-5-cyano-2-sulfan…
| 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 | 1.89 | -52.43 | 5 | 5 | 1 | 107 | 279.37 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 0.39 | -37.09 | 3 | 5 | 0 | 109 | 277.354 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | 0.58 | -35.42 | 3 | 5 | 0 | 109 | 277.354 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 1.48 | -27.71 | 4 | 5 | 0 | 105 | 278.362 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
