In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (1S,6S)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[methyl-[(1-methylimid…
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) | 0.13 | 8.62 | -47.27 | 1 | 6 | 0 | 80 | 277.324 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.13 | 8.11 | -67.01 | 0 | 6 | -1 | 78 | 276.316 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.13 | 6.6 | -32.53 | 2 | 6 | 1 | 77 | 278.332 | 4 | ↓ |