UCSF

ZINC66136363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 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) 4.67 16.01 -29.76 1 8 1 84 543.688 8
Hi High (pH 8-9.5) 4.67 15.57 -15.18 0 8 0 83 542.68 8

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

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