In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 10th, 2011 | 27 | Yes |
Popular Name: 4-butoxy-N-isopropyl-N-(3-oxo-3-piperazin-1-yl-propyl)benzamide 4-butoxy-N-isopropyl-N-(3-oxo-3-…
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) | 1.99 | 8.27 | -54.08 | 2 | 6 | 1 | 66 | 376.521 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 6.98 | -12.49 | 1 | 6 | 0 | 62 | 375.513 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.