In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 25 | Yes |
Popular Name: N-[2-[(6-benzyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]acetamide N-[2-[(6-benzyl-4-oxo-3,5,7,8-te…
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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) | 0.83 | 6.81 | -50.71 | 4 | 7 | 1 | 91 | 342.423 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.83 | 4.52 | -18.04 | 3 | 7 | 0 | 90 | 341.415 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.29 | 4.81 | -54.69 | 3 | 7 | 0 | 94 | 341.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.