UCSF

ZINC65493858

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: (9aS)-2-(5-fluoro-4-pyrrolidin-1-yl-pyrimidin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2- (9aS)-2-(5-fluoro-4-pyrrolidin-1…

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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) 1.68 8.98 -38.97 1 6 1 40 321.424 2 ↓
Mid Mid (pH 6-8) 1.68 6.55 -6.19 0 6 0 39 320.416 2 ↓
Lo Low (pH 4.5-6) 1.68 9.33 -77.93 2 6 2 41 322.432 2 ↓

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

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