In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 20 | Yes |
Popular Name: (1R)-1-(4-isobutylphenyl)-2-[(2S)-2-methylmorpholin-4-yl]ethanamine (1R)-1-(4-isobutylphenyl)-2-[(2S…
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) | 0.97 | 5.35 | -50.58 | 3 | 3 | 1 | 40 | 277.432 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.97 | 5.04 | -2.98 | 2 | 3 | 0 | 38 | 276.424 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.97 | 7.52 | -126.08 | 4 | 3 | 2 | 41 | 278.44 | 5 | ↓ |