UCSF

ZINC67982716

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 Yes

Popular Name: N-[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]-2-[(2S,6R)-2,6-dim N-[(7R,8aS)-2-methyl-1,4-dioxo-6…

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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) -0.81 0.66 -16.43 1 8 0 82 338.408 3 ↓
Lo Low (pH 4.5-6) -0.81 2.86 -50.36 2 8 1 83 339.416 3 ↓

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

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