UCSF

ZINC65502362

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 Yes

Popular Name: (9aR)-8-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methyl]-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1, (9aR)-8-[(3-methyl-4-pyrrolidin-…

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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) 0.79 4.3 -9.9 1 6 0 56 342.443 3 ↓
Mid Mid (pH 6-8) 0.79 4.25 -35.94 2 6 1 57 343.451 3 ↓
Lo Low (pH 4.5-6) 0.79 6.56 -92.26 3 6 2 58 344.459 3 ↓
Lo Low (pH 4.5-6) 0.79 6.63 -44.69 2 6 1 57 343.451 3 ↓

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

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