UCSF

ZINC53312698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 40 No

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) 4.83 12.48 -22.82 0 8 0 83 557.672 10
Lo Low (pH 4.5-6) 4.83 12.85 -57.33 1 8 1 84 558.68 10

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

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