In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2008 | 28 | Yes |
Popular Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidyl]-1-(4-ethylpiperazin-1-yl)propan-1-one 3-[1-(2,1,3-benzoxadiazol-5-ylme…
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) | 2.79 | 10.55 | -116.19 | 2 | 7 | 2 | 68 | 387.528 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 6.09 | -16.37 | 0 | 7 | 0 | 66 | 385.512 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.