In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | Yes |
Popular Name: [4-(2-aminoethyl)piperazin-1-yl]-(2-hydroxy-3-methoxy-phenyl)methanone [4-(2-aminoethyl)piperazin-1-yl]…
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) | -0.31 | -0.37 | -58.19 | 4 | 6 | 1 | 81 | 280.348 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.31 | 0.62 | -90.56 | 3 | 6 | 0 | 83 | 279.34 | 4 | ↓ |