In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: (2R)-1-[4-(4-aminobutyl)piperazin-1-yl]-2-methyl-butan-1-one (2R)-1-[4-(4-aminobutyl)piperazi…
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) | 0.53 | 2.77 | -48.26 | 3 | 4 | 1 | 51 | 242.387 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 4.97 | -108.42 | 4 | 4 | 2 | 52 | 243.395 | 6 | ↓ |