| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 18 | Yes |
Popular Name: (3S)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-piperidin-3-amine (3S)-N-[(5-isobutyl-1,2,4-oxadia…
| 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) | 0.96 | 2.33 | -42.52 | 2 | 5 | 1 | 59 | 253.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.96 | 0.94 | -5.91 | 1 | 5 | 0 | 54 | 252.362 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 3.45 | -34.67 | 2 | 5 | 1 | 55 | 253.37 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 4.58 | -109.4 | 3 | 5 | 2 | 60 | 254.378 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
