| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (3S)-N-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-amine (3S)-N-methyl-1-[(4-methyl-1,2,5…
| 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) | 0.84 | 1.27 | -49.47 | 2 | 5 | 1 | 59 | 211.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 2.22 | -47.82 | 2 | 5 | 1 | 55 | 211.289 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 0 | -9.05 | 1 | 5 | 0 | 54 | 210.281 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.84 | 3.5 | -126.31 | 3 | 5 | 2 | 60 | 212.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
