UCSF

ZINC20358548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 38 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) -1.26 9.38 -32.94 3 10 1 115 517.61 8
Mid Mid (pH 6-8) -1.26 11.72 -98.04 4 10 2 116 518.618 8

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

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