UCSF

ZINC53299257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 17 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) -1.91 -0.02 -54.41 3 7 1 86 241.271 3
Mid Mid (pH 6-8) -1.91 -1.34 -14.79 2 7 0 82 240.263 3

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

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