UCSF

ZINC52443303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 1.77 8.35 -91.76 3 3 2 34 270.442 5
Mid Mid (pH 6-8) 1.77 6.24 -37.54 2 3 1 33 269.434 5

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

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