| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 23 | Yes |
Popular Name: N-isobutyl-3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide N-isobutyl-3-[[[(2S)-4-methylmor…
| 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) | 1.65 | 4.45 | -43.94 | 3 | 5 | 1 | 58 | 320.457 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 3.09 | -9.78 | 2 | 5 | 0 | 54 | 319.449 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 5.52 | -41.14 | 3 | 5 | 1 | 55 | 320.457 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 6.87 | -105.61 | 4 | 5 | 2 | 59 | 321.465 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
