In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2004 | 25 | No |
Popular Name: [2-(3-fluoroanilino)-2-keto-ethyl]-[2-keto-2-(p-anisidino)ethyl]-methyl-ammonium [2-(3-fluoroanilino)-2-keto-ethy…
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) | 2.88 | 6.4 | -58.89 | 3 | 6 | 1 | 72 | 346.382 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 3.26 | -47.29 | 1 | 6 | -1 | 77 | 344.366 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 5.57 | -41.09 | 2 | 6 | 0 | 78 | 345.374 | 7 | ↓ |