| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: 4-[(1R)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzene-1,3-diol 4-[(1R)-1-[(2-methyl-2-morpholin…
| 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) | 2.18 | -1.07 | -10.41 | 3 | 5 | 0 | 65 | 294.395 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 1.29 | -43.72 | 3 | 5 | 0 | 72 | 294.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 0.51 | -41.98 | 4 | 5 | 1 | 70 | 295.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 1.35 | -37.03 | 4 | 5 | 1 | 66 | 295.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.18 | 2.36 | -119.34 | 5 | 5 | 2 | 71 | 296.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
