UCSF

ZINC55568810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 24 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) 0.63 3.66 -17.18 2 7 0 90 371.846 8
Hi High (pH 8-9.5) 0.82 1.03 -55.11 1 7 -1 96 370.838 8

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

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