| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 19 | No |
Popular Name: (3S)-N-[3-(2-furylmethoxy)propyl]-1,1-dioxo-thian-3-amine (3S)-N-[3-(2-furylmethoxy)propyl…
| 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) | 1.00 | 2.62 | -59.83 | 2 | 5 | 1 | 73 | 288.389 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.42 | -15.39 | 1 | 5 | 0 | 69 | 287.381 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![(1,1-diketothian-3-yl)-[3-(2-furfuryloxy)propyl]amine](http://zinc12.docking.org/img/rings/286445.gif)