| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 21 | No |
Popular Name: 2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}nicotinic acid 2-{[(4,4-dimethyl-2,6-dioxocyclo…
| 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) | 1.35 | 8.47 | -126.93 | 0 | 6 | -2 | 106 | 286.287 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 5.84 | -72.73 | 1 | 6 | -1 | 103 | 287.295 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.35 | 6.47 | -55.48 | 2 | 6 | 0 | 104 | 288.303 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 7.8 | -57.63 | 1 | 6 | -1 | 99 | 287.295 | 3 | ↓ |
