UCSF

ZINC65534565

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Popular Name: (9aS)-8-[(1-vinylpyrazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazin-1-one (9aS)-8-[(1-vinylpyrazol-4-yl)me…

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Physical Representations

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) -0.73 0.39 -11.49 1 6 0 53 261.329 3 ↓
Lo Low (pH 4.5-6) -0.73 2.64 -43.47 2 6 1 55 262.337 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.