In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2008 | 21 | Yes |
Popular Name: (1R)-1-(2-methoxy-5-methyl-phenyl)-2-(4-propylpiperazin-1-yl)ethanamine (1R)-1-(2-methoxy-5-methyl-pheny…
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) | 0.66 | 6.23 | -101.6 | 4 | 4 | 2 | 45 | 293.455 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 3.92 | -43.04 | 3 | 4 | 1 | 43 | 292.447 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.66 | 3.09 | -4.12 | 2 | 4 | 0 | 42 | 291.439 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 5.48 | -30.66 | 3 | 4 | 1 | 43 | 292.447 | 6 | ↓ |