| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2007 | 32 | No |
Popular Name: 6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-(3-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) | 4.14 | 12.25 | -14.89 | 2 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | -1.67 | -12.36 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.66 | 0.13 | -19.01 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.48 | -1.19 | -11.4 | 1 | 5 | 0 | 78 | 438.556 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.66 | -1.55 | -43.46 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.10 | 0.02 | -43.23 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.66 | 0.25 | -48.29 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | -1.08 | -43.44 | 2 | 5 | 1 | 79 | 439.564 | 6 | ↓ |
