| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: (1S)-1-(2,3-dimethylphenyl)-N-methyl-2-(2-pyridyl)ethanamine (1S)-1-(2,3-dimethylphenyl)-N-me…
| 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) | 3.11 | 7.84 | -35.23 | 2 | 2 | 1 | 29 | 241.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 6.85 | -4.55 | 1 | 2 | 0 | 25 | 240.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 8.37 | -105.97 | 3 | 2 | 2 | 31 | 242.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
