| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 21 | Yes |
Popular Name: (4S)-1,1-dioxo-N-[2-(3-pyridyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[2-(3-pyridyl)e…
| 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) | 0.74 | 3.78 | -16.34 | 1 | 4 | 0 | 59 | 302.399 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.74 | 4.25 | -44.87 | 2 | 4 | 1 | 60 | 303.407 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![(1,1-diketo-3,4-dihydro-2H-thiochromen-4-yl)-[2-(3-pyridyl)ethyl]amine](http://zinc12.docking.org/img/rings/573094.gif)