In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 7th, 2011 | 24 | No |
Popular Name: 2-(3-amino-1-phenyl-2,4-dihydrotriazolo[5,1-e][1,2,4]triazol-5-yl)benzoic 2-(3-amino-1-phenyl-2,4-dihydrot…
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) | 1.31 | 6.71 | -50.12 | 4 | 8 | 0 | 109 | 322.328 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 6.49 | -53.01 | 3 | 8 | -1 | 109 | 321.32 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.