UCSF

ZINC56874158

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 42 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) 1.49 11.38 -118.22 2 10 -2 159 585.694 13
Mid Mid (pH 6-8) 0.91 10.97 -99.05 2 10 0 154 586.702 14

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

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