UCSF

ZINC56874793

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 41 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) 3.44 -6.82 -21.41 9 11 0 201 562.527 4
Hi High (pH 8-9.5) 3.44 -5.91 -62.28 8 11 -1 203 561.519 4

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

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