| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2010 | 17 | No |
Popular Name: (3S)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-[(4-methyl-1,2,4-triaz…
| 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) | -0.32 | 3.51 | -69.1 | 2 | 6 | 1 | 81 | 277.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.32 | 2.36 | -20.76 | 1 | 6 | 0 | 77 | 276.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![(1,1-diketothiolan-3-yl)-[2-(4H-1,2,4-triazol-3-ylthio)ethyl]amine](http://zinc12.docking.org/img/rings/95471.gif)