| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (1S)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(2-pyridyl)ethanamine (1S)-N-[(4-methyl-1,2,5-oxadiazo…
| 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 | 3.76 | -48.94 | 2 | 5 | 1 | 68 | 219.268 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 2.55 | -12.82 | 1 | 5 | 0 | 64 | 218.26 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
