In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2010 | 19 | Yes |
Popular Name: 2-[4-(4-aminobutyl)piperazin-1-yl]-N-cyclopropyl-N-methyl-acetamide 2-[4-(4-aminobutyl)piperazin-1-y…
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) | -0.70 | 3.66 | -101.12 | 4 | 5 | 2 | 56 | 270.421 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 3.58 | -90.74 | 4 | 5 | 2 | 56 | 270.421 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.70 | 1.38 | -48.76 | 3 | 5 | 1 | 54 | 269.413 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.