| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(3-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-1-(3-pyridyl)-2-(2,4,6-trim…
| 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) | 1.20 | 7.2 | -44.89 | 3 | 2 | 1 | 41 | 241.358 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 6.99 | -5.15 | 2 | 2 | 0 | 39 | 240.35 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.20 | 7.67 | -110.76 | 4 | 2 | 2 | 42 | 242.366 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
