| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | No |
Popular Name: 4-[[(2-methyl-2-morpholino-propyl)amino]methyl]benzene-1,2-diol 4-[[(2-methyl-2-morpholino-propy…
| 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) | 1.21 | -1.3 | -8.63 | 3 | 5 | 0 | 65 | 280.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 1.34 | -72.97 | 3 | 5 | 0 | 72 | 280.368 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 1.49 | -54.89 | 3 | 5 | 0 | 72 | 280.368 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 0.54 | -49.59 | 4 | 5 | 1 | 70 | 281.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 1.13 | -38.32 | 4 | 5 | 1 | 66 | 281.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.21 | 2.41 | -130.54 | 5 | 5 | 2 | 71 | 282.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
