| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 21 | No |
Popular Name: (4R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)isothiochroman-4-amine (4R)-N-([1,2,4]triazolo[4,3-a]py…
| 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) | 2.32 | 10.07 | -51.54 | 2 | 4 | 1 | 47 | 297.407 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 8.84 | -12.11 | 1 | 4 | 0 | 42 | 296.399 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/2142.gif)
![Isothiochroman-4-yl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amine](http://zinc12.docking.org/img/rings/550905.gif)