In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2009 | 29 | Yes |
Popular Name: 3-[4-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]benzonitrile 3-[4-[(1R)-1-(3-phenyl-1,2,4-oxa…
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) | 2.59 | 7.21 | -19.18 | 0 | 7 | 0 | 86 | 387.443 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 9.42 | -61.5 | 1 | 7 | 1 | 87 | 388.451 | 4 | ↓ |