UCSF

ZINC69972829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 27 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) -0.58 0.78 -28.35 3 10 0 141 404.33 5
Hi High (pH 8-9.5) -0.38 -0.34 -57.34 2 10 -1 145 403.322 5

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

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