UCSF

ZINC54956948

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: (7S,8aS)-7-amino-2-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione (7S,8aS)-7-amino-2-methylhexahyd…

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CAS Number: 1256636-30-2

Other Names:

MFCD18381897

Download: MOL2 SDF SMILES Flexibase

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) -2.14 -0.74 -54 3 5 1 68 184.219 0 ↓
Hi High (pH 8-9.5) -2.14 -1.03 -9.72 2 5 0 67 183.211 0 ↓

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

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