| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 32 | No |
Popular Name: 5-cyano-2-methyl-N,4-diphenyl-6-(4-pyridylmethylsulfanyl)-1,4-dihydropyridine-3-carboxamide 5-cyano-2-methyl-N,4-diphenyl-6-…
| 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 | 12.31 | -15.74 | 2 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | -1.66 | -11.58 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 0.12 | -13.64 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | -1.17 | -11.04 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | -1.55 | -39.72 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.52 | 0.09 | -40.27 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 0.23 | -41.91 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.90 | -1.06 | -42.65 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
