In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 26 | Yes |
Popular Name: N-butyl-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-thiazolo[4,5-d]pyrimidin-6-yl]acetamide N-butyl-2-[2-(4-ethylpiperazin-1…
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) | 1.32 | 8.81 | -59.44 | 2 | 8 | 1 | 85 | 379.51 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 6.59 | -22.93 | 1 | 8 | 0 | 83 | 378.502 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.