| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | No |
Popular Name: (3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(1-methylimidazol-2-yl…
| 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) | -0.15 | 3.23 | -123.5 | 3 | 5 | 2 | 70 | 259.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 2.03 | -40.02 | 2 | 5 | 1 | 65 | 258.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 1.6 | -16.79 | 1 | 5 | 0 | 64 | 257.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 2.79 | -64.93 | 2 | 5 | 1 | 69 | 258.367 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![(1,1-diketothian-3-yl)-[2-(1H-imidazol-2-yl)ethyl]amine](http://zinc12.docking.org/img/rings/287244.gif)