In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 15 | Yes |
Popular Name: 1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine 1-methyl-N-[(4-methyl-1,2,5-oxad…
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 | 2.84 | -44.81 | 2 | 5 | 1 | 55 | 211.289 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.84 | 4.04 | -120.29 | 3 | 5 | 2 | 60 | 212.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.