UCSF

ZINC65493388

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

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

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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) 1.04 2.99 -11.08 1 6 0 58 352.438 5 ↓
Mid Mid (pH 6-8) 1.04 5.26 -42.3 2 6 1 59 353.446 5 ↓

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

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