In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 20 | Yes |
Popular Name: (1R)-1-(4-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine (1R)-1-(4-ethoxyphenyl)-2-(4-eth…
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) | 0.16 | 5.56 | -105.88 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 3.19 | -46.94 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 2.37 | -4.07 | 2 | 4 | 0 | 42 | 277.412 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 4.76 | -35.35 | 3 | 4 | 1 | 43 | 278.42 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 5.15 | -137.85 | 4 | 4 | 2 | 45 | 279.428 | 6 | ↓ |