In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 19 | No |
Popular Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-([1,2,4]triazolo[4,3-a]pyridin…
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) | 2.51 | 7.91 | -13.73 | 1 | 4 | 0 | 54 | 270.361 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 7.94 | -14.3 | 2 | 4 | 0 | 56 | 270.361 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.