In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 22 | Yes |
Popular Name: 1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-methyl-propan-2-ol 1-[4-(6-ethylthieno[2,3-d]pyrimi…
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) | 2.39 | 6.19 | -7.19 | 1 | 5 | 0 | 52 | 320.462 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 7.94 | -39.3 | 2 | 5 | 1 | 54 | 321.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.