| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(2-methoxy-5-methyl-phenyl)-2-(2-pyridyl)ethanamine (1S)-1-(2-methoxy-5-methyl-pheny…
| 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) | 0.49 | 5.3 | -40.26 | 3 | 3 | 1 | 50 | 243.33 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 5 | -6.85 | 2 | 3 | 0 | 48 | 242.322 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 5.78 | -109 | 4 | 3 | 2 | 51 | 244.338 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
