In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 2010 | 19 | Yes |
Popular Name: 1-cyano-N-[(6-methyl-2-pyridyl)methyl]cyclohexanecarboxamide 1-cyano-N-[(6-methyl-2-pyridyl)m…
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) | 1.80 | 5.48 | -10.12 | 1 | 4 | 0 | 66 | 257.337 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 5.85 | -35.02 | 2 | 4 | 1 | 67 | 258.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.