In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 21 | Yes |
Popular Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone 2-(4-aminothieno[2,3-d]pyrimidin…
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) | 1.62 | 5.4 | -48.82 | 3 | 6 | 1 | 77 | 324.455 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.62 | 3.05 | -12.71 | 2 | 6 | 0 | 75 | 323.447 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.