In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2010 | 19 | Yes |
Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-(4-cyclopentylpiperazin-1-yl)methanone (4-amino-1,2,5-oxadiazol-3-yl)-(…
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) | 0.97 | 4.52 | -41.57 | 3 | 7 | 1 | 90 | 266.325 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 2.35 | -4.51 | 2 | 7 | 0 | 88 | 265.317 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.