UCSF

ZINC53298336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 23 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) -1.04 -8.45 -55.04 3 11 -1 173 321.273 4
Mid Mid (pH 6-8) -1.04 -9.22 -14.8 4 11 0 171 322.281 4

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

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