In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 20 | Yes |
Popular Name: c1ccc(c(c1)NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3)F c1ccc(c(c1)NC(=O)[C@@H]2[C@@H]3C…
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) | 2.47 | 7.44 | -53.5 | 1 | 4 | -1 | 69 | 274.271 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.47 | 5.96 | -10.1 | 2 | 4 | 0 | 66 | 275.279 | 3 | ↓ |