| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: 4-[(1S)-1-[(2-methyl-2-morpholino-propyl)amino]ethyl]benzonitrile 4-[(1S)-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) | 2.50 | 6.53 | -50.78 | 2 | 4 | 1 | 53 | 288.415 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.83 | -5.55 | 1 | 4 | 0 | 48 | 287.407 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.3 | -39.28 | 2 | 4 | 1 | 49 | 288.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
