| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: (1R)-1-(3,4-dimethylphenyl)-N-methyl-2-(3-pyridyl)ethanamine (1R)-1-(3,4-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) | 3.07 | 8.23 | -41.71 | 2 | 2 | 1 | 29 | 241.358 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 7.11 | -4.65 | 1 | 2 | 0 | 25 | 240.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.07 | 8.7 | -101.53 | 3 | 2 | 2 | 31 | 242.366 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
