In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 21 | Yes |
Popular Name: 2-[1-[[5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]propan-2-amine 2-[1-[[5-(5-bromo-2-thienyl)-1,3…
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) | 2.02 | -0.22 | -61.53 | 3 | 7 | 1 | 97 | 370.256 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.02 | -0.48 | -14.33 | 2 | 7 | 0 | 96 | 369.248 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.