| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 32 | No |
Popular Name: 6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-(4-pyridyl)-1,4-dihydropyridine-3-carboxamide 6-benzylsulfanyl-5-cyano-2-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) | 4.56 | 12.29 | -15.11 | 2 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 10.81 | -11.97 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 11.93 | -14.1 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 11.32 | -11.05 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 11.09 | -43.93 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.52 | 12.27 | -44.67 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 12.21 | -44.8 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.90 | 11.6 | -43.46 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
