UCSF

ZINC04171714

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 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) 1.29 9.33 -13.32 1 8 0 107 416.474 8
Mid Mid (pH 6-8) 0.77 3.89 -37.58 1 8 1 108 417.482 9

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

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