In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 31 | No |
Popular Name: (5E)-1-[2-(1-cyclohexenyl)ethyl]-2-thioxo-5-(BLAHylmethylene)hexahydropyrimidine-4,6-dione (5E)-1-[2-(1-cyclohexenyl)ethyl]…
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) | 4.28 | 12.05 | -56.06 | 1 | 5 | 0 | 62 | 441.641 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 14.15 | -42.95 | 2 | 5 | 1 | 59 | 442.649 | 4 | ↓ |