In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2011 | 30 | Yes |
Popular Name: 2-(4-ethylpiperazin-1-yl)-6-(2-indolin-1-yl-2-oxo-ethyl)thiazolo[4,5-d]pyrimidin-7-one 2-(4-ethylpiperazin-1-yl)-6-(2-i…
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) | 1.81 | 12.06 | -58.75 | 1 | 8 | 1 | 76 | 425.538 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 9.84 | -21.23 | 0 | 8 | 0 | 75 | 424.53 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.