In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2011 | 15 | Yes |
Popular Name: (3S,4R)-4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine (3S,4R)-4-methyl-1-[(5-methyl-1,…
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) | -1.48 | -0.93 | -40.04 | 3 | 5 | 1 | 69 | 211.289 | 2 | ↓ |
Lo Low (pH 4.5-6) | -1.48 | -0.63 | -122.08 | 4 | 5 | 2 | 71 | 212.297 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.