In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2006 | 28 | Yes |
Popular Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]-N-(2,6-diisopropylphenyl)-acetamide 2-[(3-cyano-4,5,6-trimethyl-2-py…
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) | 4.39 | 12.08 | -13.47 | 1 | 4 | 0 | 66 | 395.572 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.39 | 12.29 | -46.26 | 2 | 4 | 1 | 67 | 396.58 | 6 | ↓ |