| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 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 | 12.28 | -15.3 | 2 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 10.75 | -11.7 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.08 | 11.84 | -17.51 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 11.31 | -11.29 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 11.03 | -45.1 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.52 | 12.22 | -46.52 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 12.12 | -48.64 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.90 | 11.58 | -43.17 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
