In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2009 | 23 | Yes |
Popular Name: 5-(4-fluorophenyl)-3-[(4-isopropylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-one 5-(4-fluorophenyl)-3-[(4-isoprop…
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) | 2.07 | 5.38 | -37.92 | 1 | 6 | 1 | 56 | 321.376 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.07 | 3.14 | -6.97 | 0 | 6 | 0 | 55 | 320.368 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 5.61 | -38.14 | 1 | 6 | 1 | 56 | 321.376 | 4 | ↓ |