UCSF

ZINC52566333

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 24 Yes

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) 5.33 13.29 -6.6 0 3 0 30 319.404 5
Mid Mid (pH 6-8) 0.90 13.36 -33.57 0 3 1 29 320.412 5

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

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