In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2005 | 18 | Yes |
Popular Name: 3-(4-methylpent-3-enyl)cyclohex-3-ene-1,6-dicarboxylic 3-(4-methylpent-3-enyl)cyclohex-…
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) | 2.86 | 10.13 | -126.39 | 0 | 4 | -2 | 80 | 250.294 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 8.18 | -44.83 | 1 | 4 | -1 | 77 | 251.302 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 8.17 | -50.93 | 1 | 4 | -1 | 77 | 251.302 | 5 | ↓ |