In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 25 | Yes |
Popular Name: (7S)-7-(4-ethoxyphenyl)-5-(4-fluorophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (7S)-7-(4-ethoxyphenyl)-5-(4-flu…
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) | 3.69 | 12.01 | -14.8 | 0 | 5 | 0 | 52 | 336.37 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.70 | 13.38 | -48.89 | 2 | 5 | 1 | 56 | 337.378 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 12.33 | -39.4 | 1 | 5 | 1 | 54 | 337.378 | 4 | ↓ |