| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 18 | Yes |
Popular Name: N-[(3-methoxyphenyl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine N-[(3-methoxyphenyl)methyl]-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) | 1.39 | 3.13 | -40.75 | 2 | 4 | 1 | 38 | 251.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.39 | 1.71 | -6.01 | 1 | 4 | 0 | 34 | 250.342 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 4.13 | -38.89 | 2 | 4 | 1 | 35 | 251.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.39 | 5.55 | -103.24 | 3 | 4 | 2 | 40 | 252.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
