In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 19 | Yes |
Popular Name: (1R)-2-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanamine (1R)-2-(4-ethylpiperazin-1-yl)-1…
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) | -0.22 | 4.64 | -105.82 | 4 | 4 | 2 | 45 | 265.401 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 2.26 | -47.03 | 3 | 4 | 1 | 43 | 264.393 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.22 | 1.44 | -4.19 | 2 | 4 | 0 | 42 | 263.385 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 3.84 | -35.36 | 3 | 4 | 1 | 43 | 264.393 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.22 | 4.23 | -137.7 | 4 | 4 | 2 | 45 | 265.401 | 5 | ↓ |