| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 21 | Yes |
Popular Name: (1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (1S)-N-[[(2S)-4-methylmorpholin-…
| 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) | 2.81 | 5.44 | -43.99 | 2 | 3 | 1 | 29 | 303.348 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.81 | 4.34 | -3.45 | 1 | 3 | 0 | 24 | 302.34 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 7.86 | -109.4 | 3 | 3 | 2 | 30 | 304.356 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 6.77 | -37.78 | 2 | 3 | 1 | 26 | 303.348 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
