| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | No |
Popular Name: (3R)-N-methyl-1,1-dioxo-N-(2-piperazin-1-ylethyl)thian-3-amine (3R)-N-methyl-1,1-dioxo-N-(2-pip…
| 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) | -0.54 | -1.25 | -45.76 | 2 | 5 | 1 | 57 | 276.426 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.54 | -2.61 | -11.27 | 1 | 5 | 0 | 53 | 275.418 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.54 | 1.04 | -109.06 | 3 | 5 | 2 | 58 | 277.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
