In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 24 | Yes |
Popular Name: N-allyl-2-[4-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(4-oxo-3H-thieno[3…
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) | 0.80 | 3.76 | -52.72 | 3 | 7 | 1 | 83 | 348.452 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 3.69 | -54.23 | 3 | 7 | 1 | 83 | 348.452 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 1.09 | -47.39 | 2 | 7 | 0 | 86 | 347.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 1.52 | -16.3 | 2 | 7 | 0 | 81 | 347.444 | 6 | ↓ |