In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2011 | 22 | Yes |
Popular Name: 6-[2-(1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[2-(1H-benzimidazol-2-yl)ethyl…
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) | 2.64 | 8.63 | -14.59 | 1 | 6 | 0 | 72 | 312.402 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.64 | 9.09 | -47.35 | 2 | 6 | 1 | 73 | 313.41 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.