In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 27th, 2010 | 25 | No |
Popular Name: N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-oxido-pyridin-1-ium-2-carboxamide N-(4-imidazo[1,2-a]pyrimidin-2-y…
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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) | 0.36 | 11.28 | -53.02 | 1 | 7 | 0 | 85 | 331.335 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 9.8 | -92.85 | 0 | 7 | -1 | 91 | 330.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.