In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 20 | Yes |
Popular Name: 2-[2-(aminomethyl)phenoxy]-1-(4-ethylpiperazin-1-yl)ethanone 2-[2-(aminomethyl)phenoxy]-1-(4-…
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) | 0.75 | 3.77 | -41.79 | 3 | 5 | 1 | 60 | 278.376 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.75 | 3.3 | -10.76 | 2 | 5 | 0 | 59 | 277.368 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.75 | 6.03 | -92.64 | 4 | 5 | 2 | 62 | 279.384 | 5 | ↓ |