UCSF

ZINC56874781

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 25 No

Popular Name: 2-Descarboxy-betanidin; C17757 2-Descarboxy-betanidin; C17757

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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) -4.73 4.37 -86.91 3 8 -1 136 343.315 3 ↓
Lo Low (pH 4.5-6) -4.73 2.39 -45.82 4 8 0 133 344.323 3 ↓

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Rings

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

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