| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2010 | 19 | Yes |
Popular Name: (1S)-N-methyl-1-(3-pyridyl)-2-(2,4,6-trimethylphenyl)ethanamine (1S)-N-methyl-1-(3-pyridyl)-2-(2…
| 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) | 3.45 | 8.17 | -45.31 | 2 | 2 | 1 | 29 | 255.385 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.45 | 8.22 | -4.73 | 1 | 2 | 0 | 25 | 254.377 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 8.64 | -104.48 | 3 | 2 | 2 | 31 | 256.393 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
