| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 17 | Yes |
Popular Name: (1S)-N-[(6-methyl-3-pyridyl)methyl]-1-(3-methyl-2-thienyl)ethanamine (1S)-N-[(6-methyl-3-pyridyl)meth…
| 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) | 2.55 | 7.25 | -41.97 | 2 | 2 | 1 | 29 | 247.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.03 | -5.42 | 1 | 2 | 0 | 25 | 246.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 7.69 | -102.16 | 3 | 2 | 2 | 31 | 248.395 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
