In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 36 | No |
Popular Name: 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide 2-[bromo(oxo)BLAHyl]-N-[3-[4-(4-…
None
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) | 4.20 | 11.61 | -58.24 | 2 | 9 | 1 | 85 | 554.469 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.20 | 9.41 | -19.34 | 1 | 9 | 0 | 84 | 553.461 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.