UCSF

ZINC53656821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 17 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) 0.67 2.08 -46.05 2 4 1 54 261.411 6
Lo Low (pH 4.5-6) 0.67 4.3 -112.01 3 4 2 55 262.419 6

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

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