In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2005 | 25 | Yes |
Popular Name: CC(=O)O[C@H]1CC(=C)[C@@H]([C@]2([C@@H]1[C@](CCC2)(C)C)C)CC[C@@](C)(C=C)O CC(=O)O[C@H]1CC(=C)[C@@H]([C@]2(…
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) | 5.50 | 9.6 | -6.21 | 1 | 3 | 0 | 47 | 348.527 | 6 | ↓ |