In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 32 | Yes |
Popular Name: [4-[4-[(1R)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea [4-[4-[(1R)-1-[3-(p-tolyl)-1,2,4…
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) | 2.44 | 3.43 | -18.37 | 3 | 9 | 0 | 118 | 434.5 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 5.6 | -51.35 | 4 | 9 | 1 | 119 | 435.508 | 5 | ↓ |